(3E,3aR,4R,7aS)-3-hydrazinylidene-3a,7,7-trimethyl-1,2,4,5,6,7a-hexahydroinden-4-ol

C12H22N2O — CID 10727189

IUPAC(3E,3aR,4R,7aS)-3-hydrazinylidene-3a,7,7-trimethyl-1,2,4,5,6,7a-hexahydroinden-4-ol
SMILESCC1(C)CC[C@@H](O)[C@@]2(C)/C(=N/N)CC[C@@H]12
InChIInChI=1S/C12H22N2O/c1-11(2)7-6-10(15)12(3)8(11)4-5-9(12)14-13/h8,10,15H,4-7,13H2,1-3H3/b14-9+/t8-,10+,12+/m0/s1
InChIKeyMZLHBPNWQLSIFY-LYKNXTMQSA-N
MW210.32 g/mol
LogP1.90
Rot. Bonds

About (3E,3aR,4R,7aS)-3-hydrazinylidene-3a,7,7-trimethyl-1,2,4,5,6,7a-hexahydroinden-4-ol

(3E,3aR,4R,7aS)-3-hydrazinylidene-3a,7,7-trimethyl-1,2,4,5,6,7a-hexahydroinden-4-ol (PubChem CID 10727189) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (3E,3aR,4R,7aS)-3-hydrazinylidene-3a,7,7-trimethyl-1,2,4,5,6,7a-hexahydroinden-4-ol.

Molecular Properties

Compound Name(3E,3aR,4R,7aS)-3-hydrazinylidene-3a,7,7-trimethyl-1,2,4,5,6,7a-hexahydroinden-4-ol
PubChem CID10727189
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(3E,3aR,4R,7aS)-3-hydrazinylidene-3a,7,7-trimethyl-1,2,4,5,6,7a-hexahydroinden-4-ol
SMILESCC1(C)CC[C@@H](O)[C@@]2(C)/C(=N/N)CC[C@@H]12
InChIInChI=1S/C12H22N2O/c1-11(2)7-6-10(15)12(3)8(11)4-5-9(12)14-13/h8,10,15H,4-7,13H2,1-3H3/b14-9+/t8-,10+,12+/m0/s1
InChIKeyMZLHBPNWQLSIFY-LYKNXTMQSA-N
XLogP1.90
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.90
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'}

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Related Compounds

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CID 11358997
(1S,3R,4S,8R,13S)-4-hydroxy-3,7,7-trimethyl-14-methylidenetetracyclo[11.2.1.02,11.03,8]hexadec-2(11)-en-15-one
CID 101266117
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CID 132604978
(14R)-8-hydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-en-12-one
CID 154715767
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3-hydroxyimino-2,2-dimethylcyclopentan-1-ol
CID 86707700
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CID 44605340
(1R,2R,6R,7R,9S)-6-hydroxy-3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one
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CID 22245615
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CID 139332931

Frequently Asked Questions

What is the IUPAC name of (3E,3aR,4R,7aS)-3-hydrazinylidene-3a,7,7-trimethyl-1,2,4,5,6,7a-hexahydroinden-4-ol?
The IUPAC name of (3E,3aR,4R,7aS)-3-hydrazinylidene-3a,7,7-trimethyl-1,2,4,5,6,7a-hexahydroinden-4-ol (CID 10727189) is (3E,3aR,4R,7aS)-3-hydrazinylidene-3a,7,7-trimethyl-1,2,4,5,6,7a-hexahydroinden-4-ol.
What is the SMILES notation for (3E,3aR,4R,7aS)-3-hydrazinylidene-3a,7,7-trimethyl-1,2,4,5,6,7a-hexahydroinden-4-ol?
The canonical SMILES for (3E,3aR,4R,7aS)-3-hydrazinylidene-3a,7,7-trimethyl-1,2,4,5,6,7a-hexahydroinden-4-ol is CC1(C)CC[C@@H](O)[C@@]2(C)/C(=N/N)CC[C@@H]12.
What is the InChIKey of (3E,3aR,4R,7aS)-3-hydrazinylidene-3a,7,7-trimethyl-1,2,4,5,6,7a-hexahydroinden-4-ol?
The InChIKey is MZLHBPNWQLSIFY-LYKNXTMQSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(2)7-6-10(15)12(3)8(11)4-5-9(12)14-13/h8,10,15H,4-7,13H2,1-3H3/b14-9+/t8-,10+,12+/m0/s1.
What are the key properties of (3E,3aR,4R,7aS)-3-hydrazinylidene-3a,7,7-trimethyl-1,2,4,5,6,7a-hexahydroinden-4-ol?
(3E,3aR,4R,7aS)-3-hydrazinylidene-3a,7,7-trimethyl-1,2,4,5,6,7a-hexahydroinden-4-ol has a molecular weight of 210.32 g/mol, XLogP of 1.90, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,3aR,4R,7aS)-3-hydrazinylidene-3a,7,7-trimethyl-1,2,4,5,6,7a-hexahydroinden-4-ol is sourced from PubChem (CID 10727189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).