2,7-dimethyl-4,7-dihydro-1H-cyclohepta[c]pyridin-3-one

C12H15NO — CID 142032515

IUPAC2,7-dimethyl-4,7-dihydro-1H-cyclohepta[c]pyridin-3-one
SMILESCC1C=CC2=C(C=C1)CN(C)C(=O)C2
InChIInChI=1S/C12H15NO/c1-9-3-5-10-7-12(14)13(2)8-11(10)6-4-9/h3-6,9H,7-8H2,1-2H3
InChIKeyKHFIJZNPTPWBMT-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.91
Rot. Bonds

About 2,7-dimethyl-4,7-dihydro-1H-cyclohepta[c]pyridin-3-one

2,7-dimethyl-4,7-dihydro-1H-cyclohepta[c]pyridin-3-one (PubChem CID 142032515) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,7-dimethyl-4,7-dihydro-1H-cyclohepta[c]pyridin-3-one.

Molecular Properties

Compound Name2,7-dimethyl-4,7-dihydro-1H-cyclohepta[c]pyridin-3-one
PubChem CID142032515
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2,7-dimethyl-4,7-dihydro-1H-cyclohepta[c]pyridin-3-one
SMILESCC1C=CC2=C(C=C1)CN(C)C(=O)C2
InChIInChI=1S/C12H15NO/c1-9-3-5-10-7-12(14)13(2)8-11(10)6-4-9/h3-6,9H,7-8H2,1-2H3
InChIKeyKHFIJZNPTPWBMT-UHFFFAOYSA-N
XLogP1.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4,7-dihydro-1H-cyclohepta[c]pyridin-3-one?
The IUPAC name of 2,7-dimethyl-4,7-dihydro-1H-cyclohepta[c]pyridin-3-one (CID 142032515) is 2,7-dimethyl-4,7-dihydro-1H-cyclohepta[c]pyridin-3-one.
What is the SMILES notation for 2,7-dimethyl-4,7-dihydro-1H-cyclohepta[c]pyridin-3-one?
The canonical SMILES for 2,7-dimethyl-4,7-dihydro-1H-cyclohepta[c]pyridin-3-one is CC1C=CC2=C(C=C1)CN(C)C(=O)C2.
What is the InChIKey of 2,7-dimethyl-4,7-dihydro-1H-cyclohepta[c]pyridin-3-one?
The InChIKey is KHFIJZNPTPWBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-3-5-10-7-12(14)13(2)8-11(10)6-4-9/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2,7-dimethyl-4,7-dihydro-1H-cyclohepta[c]pyridin-3-one?
2,7-dimethyl-4,7-dihydro-1H-cyclohepta[c]pyridin-3-one has a molecular weight of 189.26 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4,7-dihydro-1H-cyclohepta[c]pyridin-3-one is sourced from PubChem (CID 142032515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).