8,10-dimethyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one

C17H13NO — CID 25264607

IUPAC8,10-dimethyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
SMILESCc1c2c3c(cccc3c3ccccc13)C(=O)N2C
InChIInChI=1S/C17H13NO/c1-10-11-6-3-4-7-12(11)13-8-5-9-14-15(13)16(10)18(2)17(14)19/h3-9H,1-2H3
InChIKeyOOGVRCOSBUXHTH-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.89
Rot. Bonds

About 8,10-dimethyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one

8,10-dimethyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one (PubChem CID 25264607) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 8,10-dimethyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one.

Molecular Properties

Compound Name8,10-dimethyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
PubChem CID25264607
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name8,10-dimethyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
SMILESCc1c2c3c(cccc3c3ccccc13)C(=O)N2C
InChIInChI=1S/C17H13NO/c1-10-11-6-3-4-7-12(11)13-8-5-9-14-15(13)16(10)18(2)17(14)19/h3-9H,1-2H3
InChIKeyOOGVRCOSBUXHTH-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,10-dimethyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one?
The IUPAC name of 8,10-dimethyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one (CID 25264607) is 8,10-dimethyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one.
What is the SMILES notation for 8,10-dimethyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one?
The canonical SMILES for 8,10-dimethyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one is Cc1c2c3c(cccc3c3ccccc13)C(=O)N2C.
What is the InChIKey of 8,10-dimethyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one?
The InChIKey is OOGVRCOSBUXHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c1-10-11-6-3-4-7-12(11)13-8-5-9-14-15(13)16(10)18(2)17(14)19/h3-9H,1-2H3.
What are the key properties of 8,10-dimethyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one?
8,10-dimethyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one has a molecular weight of 247.30 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one is sourced from PubChem (CID 25264607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).