7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepin-7-amine

C9H13N3 — CID 130295912

IUPAC7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepin-7-amine
SMILESCC1(N)C=NC=C2CNCC2=C1
InChIInChI=1S/C9H13N3/c1-9(10)2-7-3-11-4-8(7)5-12-6-9/h2,5-6,11H,3-4,10H2,1H3
InChIKeyRJQZIQBPEUGOLM-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.20
Rot. Bonds

About 7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepin-7-amine

7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepin-7-amine (PubChem CID 130295912) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepin-7-amine.

Molecular Properties

Compound Name7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepin-7-amine
PubChem CID130295912
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepin-7-amine
SMILESCC1(N)C=NC=C2CNCC2=C1
InChIInChI=1S/C9H13N3/c1-9(10)2-7-3-11-4-8(7)5-12-6-9/h2,5-6,11H,3-4,10H2,1H3
InChIKeyRJQZIQBPEUGOLM-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepin-7-amine?
The IUPAC name of 7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepin-7-amine (CID 130295912) is 7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepin-7-amine.
What is the SMILES notation for 7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepin-7-amine?
The canonical SMILES for 7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepin-7-amine is CC1(N)C=NC=C2CNCC2=C1.
What is the InChIKey of 7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepin-7-amine?
The InChIKey is RJQZIQBPEUGOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-9(10)2-7-3-11-4-8(7)5-12-6-9/h2,5-6,11H,3-4,10H2,1H3.
What are the key properties of 7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepin-7-amine?
7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepin-7-amine has a molecular weight of 163.22 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepin-7-amine is sourced from PubChem (CID 130295912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).