(1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-one

C19H25NO — CID 67265532

IUPAC(1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-one
SMILESC=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC1=C3CC(=O)C=C1
InChIInChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,16,18H,1,3-5,8-13H2/t16-,18+,19+/m0/s1
InChIKeyCOIDGYIAWTXOJD-QXAKKESOSA-N
MW283.41 g/mol
LogP3.65
Rot. Bonds2

About (1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-one

(1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-one (PubChem CID 67265532) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is (1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-one.

Molecular Properties

Compound Name(1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-one
PubChem CID67265532
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name(1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-one
SMILESC=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC1=C3CC(=O)C=C1
InChIInChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,16,18H,1,3-5,8-13H2/t16-,18+,19+/m0/s1
InChIKeyCOIDGYIAWTXOJD-QXAKKESOSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-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,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-one?
The IUPAC name of (1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-one (CID 67265532) is (1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-one.
What is the SMILES notation for (1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-one?
The canonical SMILES for (1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-one is C=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC1=C3CC(=O)C=C1.
What is the InChIKey of (1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-one?
The InChIKey is COIDGYIAWTXOJD-QXAKKESOSA-N. The full InChI is InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,16,18H,1,3-5,8-13H2/t16-,18+,19+/m0/s1.
What are the key properties of (1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-one?
(1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-one has a molecular weight of 283.41 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-dien-4-one is sourced from PubChem (CID 67265532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).