(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-amine

C9H16N2 — CID 68983220

IUPAC(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-amine
SMILESCCN/C(C)=C/C1=NCCC1
InChIInChI=1S/C9H16N2/c1-3-10-8(2)7-9-5-4-6-11-9/h7,10H,3-6H2,1-2H3/b8-7+
InChIKeyOPNBWNAAVLNZBP-BQYQJAHWSA-N
MW152.24 g/mol
LogP1.73
Rot. Bonds3

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

(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-amine (PubChem CID 68983220) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-amine
PubChem CID68983220
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-amine
SMILESCCN/C(C)=C/C1=NCCC1
InChIInChI=1S/C9H16N2/c1-3-10-8(2)7-9-5-4-6-11-9/h7,10H,3-6H2,1-2H3/b8-7+
InChIKeyOPNBWNAAVLNZBP-BQYQJAHWSA-N
XLogP1.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-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 (E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-amine?
The IUPAC name of (E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-amine (CID 68983220) is (E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-amine.
What is the SMILES notation for (E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-amine?
The canonical SMILES for (E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-amine is CCN/C(C)=C/C1=NCCC1.
What is the InChIKey of (E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-amine?
The InChIKey is OPNBWNAAVLNZBP-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-10-8(2)7-9-5-4-6-11-9/h7,10H,3-6H2,1-2H3/b8-7+.
What are the key properties of (E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-amine?
(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-amine has a molecular weight of 152.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-amine is sourced from PubChem (CID 68983220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).