7-benzyl-5-cyclopropyl-8,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,4-e][1,4]diazepin-6-one

C19H25N3O — CID 151019722

IUPAC7-benzyl-5-cyclopropyl-8,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,4-e][1,4]diazepin-6-one
SMILESCC1(C)C2=C(C(=O)N1Cc1ccccc1)C(C1CC1)NCCN2
InChIInChI=1S/C19H25N3O/c1-19(2)17-15(16(14-8-9-14)20-10-11-21-17)18(23)22(19)12-13-6-4-3-5-7-13/h3-7,14,16,20-21H,8-12H2,1-2H3
InChIKeyLXUVZLNVZDCTSL-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.03
Rot. Bonds3

About 7-benzyl-5-cyclopropyl-8,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,4-e][1,4]diazepin-6-one

7-benzyl-5-cyclopropyl-8,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,4-e][1,4]diazepin-6-one (PubChem CID 151019722) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 7-benzyl-5-cyclopropyl-8,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,4-e][1,4]diazepin-6-one.

Molecular Properties

Compound Name7-benzyl-5-cyclopropyl-8,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,4-e][1,4]diazepin-6-one
PubChem CID151019722
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name7-benzyl-5-cyclopropyl-8,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,4-e][1,4]diazepin-6-one
SMILESCC1(C)C2=C(C(=O)N1Cc1ccccc1)C(C1CC1)NCCN2
InChIInChI=1S/C19H25N3O/c1-19(2)17-15(16(14-8-9-14)20-10-11-21-17)18(23)22(19)12-13-6-4-3-5-7-13/h3-7,14,16,20-21H,8-12H2,1-2H3
InChIKeyLXUVZLNVZDCTSL-UHFFFAOYSA-N
XLogP2.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-benzyl-5-cyclopropyl-8,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,4-e][1,4]diazepin-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

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-5-cyclopropyl-8,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,4-e][1,4]diazepin-6-one?
The IUPAC name of 7-benzyl-5-cyclopropyl-8,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,4-e][1,4]diazepin-6-one (CID 151019722) is 7-benzyl-5-cyclopropyl-8,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,4-e][1,4]diazepin-6-one.
What is the SMILES notation for 7-benzyl-5-cyclopropyl-8,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,4-e][1,4]diazepin-6-one?
The canonical SMILES for 7-benzyl-5-cyclopropyl-8,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,4-e][1,4]diazepin-6-one is CC1(C)C2=C(C(=O)N1Cc1ccccc1)C(C1CC1)NCCN2.
What is the InChIKey of 7-benzyl-5-cyclopropyl-8,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,4-e][1,4]diazepin-6-one?
The InChIKey is LXUVZLNVZDCTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-19(2)17-15(16(14-8-9-14)20-10-11-21-17)18(23)22(19)12-13-6-4-3-5-7-13/h3-7,14,16,20-21H,8-12H2,1-2H3.
What are the key properties of 7-benzyl-5-cyclopropyl-8,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,4-e][1,4]diazepin-6-one?
7-benzyl-5-cyclopropyl-8,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,4-e][1,4]diazepin-6-one has a molecular weight of 311.43 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-5-cyclopropyl-8,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,4-e][1,4]diazepin-6-one is sourced from PubChem (CID 151019722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).