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

C11H16N2O — CID 142389284

IUPACethane;7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one
SMILESCC.CN1CC2=C(C=CCC=N2)C1=O
InChIInChI=1S/C9H10N2O.C2H6/c1-11-6-8-7(9(11)12)4-2-3-5-10-8;1-2/h2,4-5H,3,6H2,1H3;1-2H3
InChIKeyVRJPRQAQHKQLLR-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.77
Rot. Bonds

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

ethane;7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one (PubChem CID 142389284) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is ethane;7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one.

Molecular Properties

Compound Nameethane;7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one
PubChem CID142389284
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Nameethane;7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one
SMILESCC.CN1CC2=C(C=CCC=N2)C1=O
InChIInChI=1S/C9H10N2O.C2H6/c1-11-6-8-7(9(11)12)4-2-3-5-10-8;1-2/h2,4-5H,3,6H2,1H3;1-2H3
InChIKeyVRJPRQAQHKQLLR-UHFFFAOYSA-N
XLogP1.77
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(but-3-enylideneamino)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 129310241
3-(ethylideneamino)-1-heptyl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
CID 135179679
7-methyl-3H-pyrrolo[3,4-b]azepine-6,8-dione
CID 142123825
ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 142365592
3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one;ethane
CID 143839050
ethane;7-[(E)-1-iminobut-2-en-2-yl]-4-methyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-1,4-diazepin-5-one
CID 144122603
4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one
CID 145127025
ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 145261989
Ethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one
CID 145394193
CID 153340922
CID 153340922
CID 153340924
CID 153340924
CID 156794075
CID 156794075

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one?
The IUPAC name of ethane;7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one (CID 142389284) is ethane;7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one.
What is the SMILES notation for ethane;7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one?
The canonical SMILES for ethane;7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one is CC.CN1CC2=C(C=CCC=N2)C1=O.
What is the InChIKey of ethane;7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one?
The InChIKey is VRJPRQAQHKQLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.C2H6/c1-11-6-8-7(9(11)12)4-2-3-5-10-8;1-2/h2,4-5H,3,6H2,1H3;1-2H3.
What are the key properties of ethane;7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one?
ethane;7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one has a molecular weight of 192.26 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one is sourced from PubChem (CID 142389284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).