7-methyl-2,7-dihydropyrido[3,4-c]azepin-1-one

C10H10N2O — CID 143017382

IUPAC7-methyl-2,7-dihydropyrido[3,4-c]azepin-1-one
SMILESCC1C=Cc2cc[nH]c(=O)c2C=N1
InChIInChI=1S/C10H10N2O/c1-7-2-3-8-4-5-11-10(13)9(8)6-12-7/h2-7H,1H3,(H,11,13)
InChIKeyYVKLARIQVRWPJT-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.21
Rot. Bonds

About 7-methyl-2,7-dihydropyrido[3,4-c]azepin-1-one

7-methyl-2,7-dihydropyrido[3,4-c]azepin-1-one (PubChem CID 143017382) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 7-methyl-2,7-dihydropyrido[3,4-c]azepin-1-one.

Molecular Properties

Compound Name7-methyl-2,7-dihydropyrido[3,4-c]azepin-1-one
PubChem CID143017382
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name7-methyl-2,7-dihydropyrido[3,4-c]azepin-1-one
SMILESCC1C=Cc2cc[nH]c(=O)c2C=N1
InChIInChI=1S/C10H10N2O/c1-7-2-3-8-4-5-11-10(13)9(8)6-12-7/h2-7H,1H3,(H,11,13)
InChIKeyYVKLARIQVRWPJT-UHFFFAOYSA-N
XLogP1.21
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,7-dihydropyrido[3,4-c]azepin-1-one?
The IUPAC name of 7-methyl-2,7-dihydropyrido[3,4-c]azepin-1-one (CID 143017382) is 7-methyl-2,7-dihydropyrido[3,4-c]azepin-1-one.
What is the SMILES notation for 7-methyl-2,7-dihydropyrido[3,4-c]azepin-1-one?
The canonical SMILES for 7-methyl-2,7-dihydropyrido[3,4-c]azepin-1-one is CC1C=Cc2cc[nH]c(=O)c2C=N1.
What is the InChIKey of 7-methyl-2,7-dihydropyrido[3,4-c]azepin-1-one?
The InChIKey is YVKLARIQVRWPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-2-3-8-4-5-11-10(13)9(8)6-12-7/h2-7H,1H3,(H,11,13).
What are the key properties of 7-methyl-2,7-dihydropyrido[3,4-c]azepin-1-one?
7-methyl-2,7-dihydropyrido[3,4-c]azepin-1-one has a molecular weight of 174.20 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,7-dihydropyrido[3,4-c]azepin-1-one is sourced from PubChem (CID 143017382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).