4-methylidene-9,10-didehydro-2,3,4a,10a-tetrahydro-1H-cyclohepta[g]quinolin-5-one

C15H13NO — CID 163510497

IUPAC4-methylidene-9,10-didehydro-2,3,4a,10a-tetrahydro-1H-cyclohepta[g]quinolin-5-one
SMILESC=C1CCNC2=CC3C#CC=CC=C3C(=O)C12
InChIInChI=1S/C15H13NO/c1-10-7-8-16-13-9-11-5-3-2-4-6-12(11)15(17)14(10)13/h2,4,6,9,11,14,16H,1,7-8H2
InChIKeyDCHCLSCNLWALAA-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.73
Rot. Bonds

About 4-methylidene-9,10-didehydro-2,3,4a,10a-tetrahydro-1H-cyclohepta[g]quinolin-5-one

4-methylidene-9,10-didehydro-2,3,4a,10a-tetrahydro-1H-cyclohepta[g]quinolin-5-one (PubChem CID 163510497) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-methylidene-9,10-didehydro-2,3,4a,10a-tetrahydro-1H-cyclohepta[g]quinolin-5-one.

Molecular Properties

Compound Name4-methylidene-9,10-didehydro-2,3,4a,10a-tetrahydro-1H-cyclohepta[g]quinolin-5-one
PubChem CID163510497
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name4-methylidene-9,10-didehydro-2,3,4a,10a-tetrahydro-1H-cyclohepta[g]quinolin-5-one
SMILESC=C1CCNC2=CC3C#CC=CC=C3C(=O)C12
InChIInChI=1S/C15H13NO/c1-10-7-8-16-13-9-11-5-3-2-4-6-12(11)15(17)14(10)13/h2,4,6,9,11,14,16H,1,7-8H2
InChIKeyDCHCLSCNLWALAA-UHFFFAOYSA-N
XLogP1.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methylidene-9,10-didehydro-2,3,4a,10a-tetrahydro-1H-cyclohepta[g]quinolin-5-one with MolForge

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Related Compounds

5-Oxo-hexahydroquinoline
CID 67278757
(4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one
CID 134545185
2,3,4,8a-tetrahydro-1H-isoquinolin-8-one
CID 70038736
1,2,3,4,4a,5a-Hexahydroindeno[1,2-b]pyridin-5-one
CID 70626456
3-methyl-2-[(E)-7-methyloct-5-enyl]-2,3,6,7-tetrahydro-1H-quinolin-4-one
CID 135128698

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-9,10-didehydro-2,3,4a,10a-tetrahydro-1H-cyclohepta[g]quinolin-5-one?
The IUPAC name of 4-methylidene-9,10-didehydro-2,3,4a,10a-tetrahydro-1H-cyclohepta[g]quinolin-5-one (CID 163510497) is 4-methylidene-9,10-didehydro-2,3,4a,10a-tetrahydro-1H-cyclohepta[g]quinolin-5-one.
What is the SMILES notation for 4-methylidene-9,10-didehydro-2,3,4a,10a-tetrahydro-1H-cyclohepta[g]quinolin-5-one?
The canonical SMILES for 4-methylidene-9,10-didehydro-2,3,4a,10a-tetrahydro-1H-cyclohepta[g]quinolin-5-one is C=C1CCNC2=CC3C#CC=CC=C3C(=O)C12.
What is the InChIKey of 4-methylidene-9,10-didehydro-2,3,4a,10a-tetrahydro-1H-cyclohepta[g]quinolin-5-one?
The InChIKey is DCHCLSCNLWALAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-10-7-8-16-13-9-11-5-3-2-4-6-12(11)15(17)14(10)13/h2,4,6,9,11,14,16H,1,7-8H2.
What are the key properties of 4-methylidene-9,10-didehydro-2,3,4a,10a-tetrahydro-1H-cyclohepta[g]quinolin-5-one?
4-methylidene-9,10-didehydro-2,3,4a,10a-tetrahydro-1H-cyclohepta[g]quinolin-5-one has a molecular weight of 223.27 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-9,10-didehydro-2,3,4a,10a-tetrahydro-1H-cyclohepta[g]quinolin-5-one is sourced from PubChem (CID 163510497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).