(2R,5R,8R,9S,10S,13S,14S,17S)-3-hydrazinylidene-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

C21H36N2O — CID 129449305

IUPAC(2R,5R,8R,9S,10S,13S,14S,17S)-3-hydrazinylidene-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
SMILESC[C@@H]1C[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(C)O)CC1=NN
InChIInChI=1S/C21H36N2O/c1-13-12-19(2)14(11-18(13)23-22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)24/h13-17,24H,5-12,22H2,1-4H3/t13-,14-,15-,16+,17+,19+,20+,21+/m1/s1
InChIKeyBQTJGNTXJNEPFQ-FAIYVORSSA-N
MW332.53 g/mol
LogP4.34
Rot. Bonds

About (2R,5R,8R,9S,10S,13S,14S,17S)-3-hydrazinylidene-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

(2R,5R,8R,9S,10S,13S,14S,17S)-3-hydrazinylidene-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol (PubChem CID 129449305) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is (2R,5R,8R,9S,10S,13S,14S,17S)-3-hydrazinylidene-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol.

Molecular Properties

Compound Name(2R,5R,8R,9S,10S,13S,14S,17S)-3-hydrazinylidene-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
PubChem CID129449305
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC Name(2R,5R,8R,9S,10S,13S,14S,17S)-3-hydrazinylidene-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
SMILESC[C@@H]1C[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(C)O)CC1=NN
InChIInChI=1S/C21H36N2O/c1-13-12-19(2)14(11-18(13)23-22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)24/h13-17,24H,5-12,22H2,1-4H3/t13-,14-,15-,16+,17+,19+,20+,21+/m1/s1
InChIKeyBQTJGNTXJNEPFQ-FAIYVORSSA-N
XLogP4.34
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R,5R,8R,9S,10S,13S,14S,17S)-3-hydrazinylidene-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol with MolForge

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Related Compounds

(2S,3E,5S,8S,9S,10S,13S,14S,17S)-3-[(Z)-[(2R,5R,8R,9S,10S,13S,14S,17S)-17-hydroxy-2,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazinylidene]-2,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 99568972
(9S,10S,13S,14S)-17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 126500825
(10S,13S)-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,3,17-triol
CID 156721625
(2R,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(methoxymethyl)-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 99574204
17-hydroxy-2-(methoxymethyl)-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 4537907
(1S,2S,4R,6S,8S,11R,12S,15S,16S)-2,15,16-trimethyl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-ol
CID 169439614
17-(2-chloroethynyl)-17-hydroxy-2,10,13-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 5105189
(5S,8S,9R,10S,13S,14S,17S)-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 7177692
(3R,5S,8R,9S,10S,13R,14R,17R)-3-ethynyl-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 11867679
(2S,17S,18S)-2,17,18-trimethyl-6-oxa-5,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7-dien-17-ol
CID 91746461
(2E,5S,8R,9S,10S,13S,14R,17S)-17-hydroxy-2-(hydroxymethylidene)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CID 124903414
(2Z)-17-hydroxy-2-(hydroxymethylidene)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CID 3034293

Frequently Asked Questions

What is the IUPAC name of (2R,5R,8R,9S,10S,13S,14S,17S)-3-hydrazinylidene-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol?
The IUPAC name of (2R,5R,8R,9S,10S,13S,14S,17S)-3-hydrazinylidene-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol (CID 129449305) is (2R,5R,8R,9S,10S,13S,14S,17S)-3-hydrazinylidene-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol.
What is the SMILES notation for (2R,5R,8R,9S,10S,13S,14S,17S)-3-hydrazinylidene-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol?
The canonical SMILES for (2R,5R,8R,9S,10S,13S,14S,17S)-3-hydrazinylidene-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol is C[C@@H]1C[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(C)O)CC1=NN.
What is the InChIKey of (2R,5R,8R,9S,10S,13S,14S,17S)-3-hydrazinylidene-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol?
The InChIKey is BQTJGNTXJNEPFQ-FAIYVORSSA-N. The full InChI is InChI=1S/C21H36N2O/c1-13-12-19(2)14(11-18(13)23-22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)24/h13-17,24H,5-12,22H2,1-4H3/t13-,14-,15-,16+,17+,19+,20+,21+/m1/s1.
What are the key properties of (2R,5R,8R,9S,10S,13S,14S,17S)-3-hydrazinylidene-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol?
(2R,5R,8R,9S,10S,13S,14S,17S)-3-hydrazinylidene-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol has a molecular weight of 332.53 g/mol, XLogP of 4.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,8R,9S,10S,13S,14S,17S)-3-hydrazinylidene-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol is sourced from PubChem (CID 129449305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).