7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one

C9H10N2O — CID 142389285

IUPAC7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one
SMILESCN1CC2=C(C=CCC=N2)C1=O
InChIInChI=1S/C9H10N2O/c1-11-6-8-7(9(11)12)4-2-3-5-10-8/h2,4-5H,3,6H2,1H3
InChIKeyQQPKRHBYAMDYCU-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.74
Rot. Bonds

About 7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one

7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one (PubChem CID 142389285) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one.

Molecular Properties

Compound Name7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one
PubChem CID142389285
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one
SMILESCN1CC2=C(C=CCC=N2)C1=O
InChIInChI=1S/C9H10N2O/c1-11-6-8-7(9(11)12)4-2-3-5-10-8/h2,4-5H,3,6H2,1H3
InChIKeyQQPKRHBYAMDYCU-UHFFFAOYSA-N
XLogP0.74
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one?
The IUPAC name of 7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one (CID 142389285) is 7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one.
What is the SMILES notation for 7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one?
The canonical SMILES for 7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one is CN1CC2=C(C=CCC=N2)C1=O.
What is the InChIKey of 7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one?
The InChIKey is QQPKRHBYAMDYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-11-6-8-7(9(11)12)4-2-3-5-10-8/h2,4-5H,3,6H2,1H3.
What are the key properties of 7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one?
7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one has a molecular weight of 162.19 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one is sourced from PubChem (CID 142389285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).