2,6-dimethyl-7,8-dihydro-5H-pyrrolo[3,4-d]azepin-4-one

C10H14N2O — CID 15324712

IUPAC2,6-dimethyl-7,8-dihydro-5H-pyrrolo[3,4-d]azepin-4-one
SMILESCN1CCc2cn(C)cc2C(=O)C1
InChIInChI=1S/C10H14N2O/c1-11-4-3-8-5-12(2)6-9(8)10(13)7-11/h5-6H,3-4,7H2,1-2H3
InChIKeyJYVCRGPPDGJZOD-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.70
Rot. Bonds

About 2,6-dimethyl-7,8-dihydro-5H-pyrrolo[3,4-d]azepin-4-one

2,6-dimethyl-7,8-dihydro-5H-pyrrolo[3,4-d]azepin-4-one (PubChem CID 15324712) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2,6-dimethyl-7,8-dihydro-5H-pyrrolo[3,4-d]azepin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-7,8-dihydro-5H-pyrrolo[3,4-d]azepin-4-one
PubChem CID15324712
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2,6-dimethyl-7,8-dihydro-5H-pyrrolo[3,4-d]azepin-4-one
SMILESCN1CCc2cn(C)cc2C(=O)C1
InChIInChI=1S/C10H14N2O/c1-11-4-3-8-5-12(2)6-9(8)10(13)7-11/h5-6H,3-4,7H2,1-2H3
InChIKeyJYVCRGPPDGJZOD-UHFFFAOYSA-N
XLogP0.70
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,6-dimethyl-7,8-dihydro-5H-pyrrolo[3,4-d]azepin-4-one with MolForge

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Related Compounds

1-methylazepane-4,5-dione
CID 154317787
6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
CID 168786379
8-methyl-5,6-dihydropyrano[2,3-e]isoindol-2-one
CID 44582522
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 155395760
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
8-methyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline
CID 110457273
7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline
CID 175786107
iodomethane;2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol
CID 23621205
2,6-dimethyl-8-methylidene-5,7-dihydro-4H-pyrazolo[3,4-d]azepine
CID 165006837
methyl acetate;2-methyl-3,4-dihydro-1H-isoquinoline
CID 91290502
hydrogen sulfate;hydron;2-methyl-3,4-dihydro-1H-isoquinoline
CID 173214818

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-7,8-dihydro-5H-pyrrolo[3,4-d]azepin-4-one?
The IUPAC name of 2,6-dimethyl-7,8-dihydro-5H-pyrrolo[3,4-d]azepin-4-one (CID 15324712) is 2,6-dimethyl-7,8-dihydro-5H-pyrrolo[3,4-d]azepin-4-one.
What is the SMILES notation for 2,6-dimethyl-7,8-dihydro-5H-pyrrolo[3,4-d]azepin-4-one?
The canonical SMILES for 2,6-dimethyl-7,8-dihydro-5H-pyrrolo[3,4-d]azepin-4-one is CN1CCc2cn(C)cc2C(=O)C1.
What is the InChIKey of 2,6-dimethyl-7,8-dihydro-5H-pyrrolo[3,4-d]azepin-4-one?
The InChIKey is JYVCRGPPDGJZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-11-4-3-8-5-12(2)6-9(8)10(13)7-11/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 2,6-dimethyl-7,8-dihydro-5H-pyrrolo[3,4-d]azepin-4-one?
2,6-dimethyl-7,8-dihydro-5H-pyrrolo[3,4-d]azepin-4-one has a molecular weight of 178.24 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-7,8-dihydro-5H-pyrrolo[3,4-d]azepin-4-one is sourced from PubChem (CID 15324712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).