(1R,4S,9S,10R,13S,14E)-14-hydroxyimino-9,13-dimethyl-5-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-7-en-6-one

C19H25NO2 — CID 162667244

IUPAC(1R,4S,9S,10R,13S,14E)-14-hydroxyimino-9,13-dimethyl-5-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-7-en-6-one
SMILESC=C1C(=O)C=C[C@]2(C)[C@@H]1CC[C@@]13C/C(=N\O)[C@@](C)(CC[C@H]12)C3
InChIInChI=1S/C19H25NO2/c1-12-13-4-9-19-10-16(20-22)17(2,11-19)7-6-15(19)18(13,3)8-5-14(12)21/h5,8,13,15,22H,1,4,6-7,9-11H2,2-3H3/b20-16+/t13-,15+,17+,18-,19+/m1/s1
InChIKeyIYGXSTUYXDTCOD-UNLVHCFESA-N
MW299.41 g/mol
LogP4.12
Rot. Bonds

About (1R,4S,9S,10R,13S,14E)-14-hydroxyimino-9,13-dimethyl-5-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-7-en-6-one

(1R,4S,9S,10R,13S,14E)-14-hydroxyimino-9,13-dimethyl-5-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-7-en-6-one (PubChem CID 162667244) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (1R,4S,9S,10R,13S,14E)-14-hydroxyimino-9,13-dimethyl-5-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-7-en-6-one.

Molecular Properties

Compound Name(1R,4S,9S,10R,13S,14E)-14-hydroxyimino-9,13-dimethyl-5-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-7-en-6-one
PubChem CID162667244
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(1R,4S,9S,10R,13S,14E)-14-hydroxyimino-9,13-dimethyl-5-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-7-en-6-one
SMILESC=C1C(=O)C=C[C@]2(C)[C@@H]1CC[C@@]13C/C(=N\O)[C@@](C)(CC[C@H]12)C3
InChIInChI=1S/C19H25NO2/c1-12-13-4-9-19-10-16(20-22)17(2,11-19)7-6-15(19)18(13,3)8-5-14(12)21/h5,8,13,15,22H,1,4,6-7,9-11H2,2-3H3/b20-16+/t13-,15+,17+,18-,19+/m1/s1
InChIKeyIYGXSTUYXDTCOD-UNLVHCFESA-N
XLogP4.12
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1R,4S,9S,10R,13S,14E)-14-hydroxyimino-9,13-dimethyl-5-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-7-en-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,4S,9S,10R,13S,14E)-14-hydroxyimino-9,13-dimethyl-5-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-7-en-6-one?
The IUPAC name of (1R,4S,9S,10R,13S,14E)-14-hydroxyimino-9,13-dimethyl-5-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-7-en-6-one (CID 162667244) is (1R,4S,9S,10R,13S,14E)-14-hydroxyimino-9,13-dimethyl-5-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-7-en-6-one.
What is the SMILES notation for (1R,4S,9S,10R,13S,14E)-14-hydroxyimino-9,13-dimethyl-5-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-7-en-6-one?
The canonical SMILES for (1R,4S,9S,10R,13S,14E)-14-hydroxyimino-9,13-dimethyl-5-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-7-en-6-one is C=C1C(=O)C=C[C@]2(C)[C@@H]1CC[C@@]13C/C(=N\O)[C@@](C)(CC[C@H]12)C3.
What is the InChIKey of (1R,4S,9S,10R,13S,14E)-14-hydroxyimino-9,13-dimethyl-5-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-7-en-6-one?
The InChIKey is IYGXSTUYXDTCOD-UNLVHCFESA-N. The full InChI is InChI=1S/C19H25NO2/c1-12-13-4-9-19-10-16(20-22)17(2,11-19)7-6-15(19)18(13,3)8-5-14(12)21/h5,8,13,15,22H,1,4,6-7,9-11H2,2-3H3/b20-16+/t13-,15+,17+,18-,19+/m1/s1.
What are the key properties of (1R,4S,9S,10R,13S,14E)-14-hydroxyimino-9,13-dimethyl-5-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-7-en-6-one?
(1R,4S,9S,10R,13S,14E)-14-hydroxyimino-9,13-dimethyl-5-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-7-en-6-one has a molecular weight of 299.41 g/mol, XLogP of 4.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,9S,10R,13S,14E)-14-hydroxyimino-9,13-dimethyl-5-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-7-en-6-one is sourced from PubChem (CID 162667244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).