CID 10672404

C25H30NO — CID 10672404

IUPAC—
SMILESCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C[C@@H](/N=C/[C]3[CH][CH][CH][CH]3)C[C@@H]12
InChIInChI=1S/C25H30NO/c1-25-12-11-22-21-10-8-20(27-2)13-18(21)7-9-23(22)24(25)14-19(15-25)26-16-17-5-3-4-6-17/h3-6,8,10,13,16,19,22-24H,7,9,11-12,14-15H2,1-2H3/b26-16+/t19-,22+,23+,24-,25+/m0/s1
InChIKeyYSLJFWCJRWHSCI-XFRMANEZSA-N
MW360.52 g/mol
LogP5.40
Rot. Bonds3

About CID 10672404

CID 10672404 (PubChem CID 10672404) has the molecular formula C25H30NO and a molecular weight of 360.52 g/mol.

Molecular Properties

Compound NameCID 10672404
PubChem CID10672404
Molecular FormulaC25H30NO
Molecular Weight360.52 g/mol
Exact Mass360.23
IUPAC Name—
SMILESCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C[C@@H](/N=C/[C]3[CH][CH][CH][CH]3)C[C@@H]12
InChIInChI=1S/C25H30NO/c1-25-12-11-22-21-10-8-20(27-2)13-18(21)7-9-23(22)24(25)14-19(15-25)26-16-17-5-3-4-6-17/h3-6,8,10,13,16,19,22-24H,7,9,11-12,14-15H2,1-2H3/b26-16+/t19-,22+,23+,24-,25+/m0/s1
InChIKeyYSLJFWCJRWHSCI-XFRMANEZSA-N
XLogP5.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.52
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(8S,9S,13R,14R,16R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-ol
CID 124936098
(8S,9S,13R,14S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
CID 14055916
(8S,9S,13R,14S)-16,16-difluoro-3-methoxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene
CID 154204484
(3aS,3bR,9bS,11aS)-7-methoxy-11a-methyl-3,3a,3b,4,5,9b,10,11-octahydro-1H-naphtho[2,1-e][2]benzofuran
CID 125481159
(8R,9S,13R,14S,16R,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
CID 101233329
(Z)-[(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]hydrazine
CID 29057021
(13S)-17-ethylidene-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene
CID 91039196
(8S,9S,13R,14S,17S)-3-methoxy-13,17-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
CID 59630580
[(13S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxyphosphane
CID 144809032
(8R,9S,13S,14S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-amine
CID 15251354
(8R,9S,13S,14S)-3,17,17-trimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene
CID 15718548
(8S,13R,14R,17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
CID 59912580

Frequently Asked Questions

What is the IUPAC name of CID 10672404?
The IUPAC name of CID 10672404 (CID 10672404) is not available.
What is the SMILES notation for CID 10672404?
The canonical SMILES for CID 10672404 is COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C[C@@H](/N=C/[C]3[CH][CH][CH][CH]3)C[C@@H]12.
What is the InChIKey of CID 10672404?
The InChIKey is YSLJFWCJRWHSCI-XFRMANEZSA-N. The full InChI is InChI=1S/C25H30NO/c1-25-12-11-22-21-10-8-20(27-2)13-18(21)7-9-23(22)24(25)14-19(15-25)26-16-17-5-3-4-6-17/h3-6,8,10,13,16,19,22-24H,7,9,11-12,14-15H2,1-2H3/b26-16+/t19-,22+,23+,24-,25+/m0/s1.
What are the key properties of CID 10672404?
CID 10672404 has a molecular weight of 360.52 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10672404 is sourced from PubChem (CID 10672404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).