5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine

C9H13N3 — CID 134404988

IUPAC5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine
SMILESCC1(N)C=NC=C2NCCC2=C1
InChIInChI=1S/C9H13N3/c1-9(10)4-7-2-3-12-8(7)5-11-6-9/h4-6,12H,2-3,10H2,1H3
InChIKeySEYRKHHEXVDFDM-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.55
Rot. Bonds

About 5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine

5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine (PubChem CID 134404988) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine
PubChem CID134404988
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine
SMILESCC1(N)C=NC=C2NCCC2=C1
InChIInChI=1S/C9H13N3/c1-9(10)4-7-2-3-12-8(7)5-11-6-9/h4-6,12H,2-3,10H2,1H3
InChIKeySEYRKHHEXVDFDM-UHFFFAOYSA-N
XLogP0.55
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine 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 5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine?
The IUPAC name of 5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine (CID 134404988) is 5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine.
What is the SMILES notation for 5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine?
The canonical SMILES for 5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine is CC1(N)C=NC=C2NCCC2=C1.
What is the InChIKey of 5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine?
The InChIKey is SEYRKHHEXVDFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-9(10)4-7-2-3-12-8(7)5-11-6-9/h4-6,12H,2-3,10H2,1H3.
What are the key properties of 5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine?
5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine has a molecular weight of 163.22 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine is sourced from PubChem (CID 134404988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).