2-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-1-amine

C7H12N2 — CID 149317462

IUPAC2-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-1-amine
SMILESCC(=CN)C1=NCCC1
InChIInChI=1S/C7H12N2/c1-6(5-8)7-3-2-4-9-7/h5H,2-4,8H2,1H3
InChIKeyZQQQFERFLOYUKD-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.08
Rot. Bonds1

About 2-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-1-amine

2-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-1-amine (PubChem CID 149317462) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-1-amine
PubChem CID149317462
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-1-amine
SMILESCC(=CN)C1=NCCC1
InChIInChI=1S/C7H12N2/c1-6(5-8)7-3-2-4-9-7/h5H,2-4,8H2,1H3
InChIKeyZQQQFERFLOYUKD-UHFFFAOYSA-N
XLogP1.08
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-1-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 2-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-1-amine?
The IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-1-amine (CID 149317462) is 2-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-1-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-1-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-1-amine is CC(=CN)C1=NCCC1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-1-amine?
The InChIKey is ZQQQFERFLOYUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(5-8)7-3-2-4-9-7/h5H,2-4,8H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-1-amine?
2-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-1-amine has a molecular weight of 124.19 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-1-amine is sourced from PubChem (CID 149317462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).