(3Z)-3-ethylidene-N-prop-1-en-2-ylpyrrol-2-amine

C9H12N2 — CID 167112837

IUPAC(3Z)-3-ethylidene-N-prop-1-en-2-ylpyrrol-2-amine
SMILESC=C(C)NC1=NC=C/C1=C/C
InChIInChI=1S/C9H12N2/c1-4-8-5-6-10-9(8)11-7(2)3/h4-6H,2H2,1,3H3,(H,10,11)/b8-4-
InChIKeyPLDYFNYWIMJDPV-YWEYNIOJSA-N
MW148.21 g/mol
LogP1.98
Rot. Bonds1

About (3Z)-3-ethylidene-N-prop-1-en-2-ylpyrrol-2-amine

(3Z)-3-ethylidene-N-prop-1-en-2-ylpyrrol-2-amine (PubChem CID 167112837) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (3Z)-3-ethylidene-N-prop-1-en-2-ylpyrrol-2-amine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-N-prop-1-en-2-ylpyrrol-2-amine
PubChem CID167112837
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(3Z)-3-ethylidene-N-prop-1-en-2-ylpyrrol-2-amine
SMILESC=C(C)NC1=NC=C/C1=C/C
InChIInChI=1S/C9H12N2/c1-4-8-5-6-10-9(8)11-7(2)3/h4-6H,2H2,1,3H3,(H,10,11)/b8-4-
InChIKeyPLDYFNYWIMJDPV-YWEYNIOJSA-N
XLogP1.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3Z)-3-ethylidene-N-prop-1-en-2-ylpyrrol-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 (3Z)-3-ethylidene-N-prop-1-en-2-ylpyrrol-2-amine?
The IUPAC name of (3Z)-3-ethylidene-N-prop-1-en-2-ylpyrrol-2-amine (CID 167112837) is (3Z)-3-ethylidene-N-prop-1-en-2-ylpyrrol-2-amine.
What is the SMILES notation for (3Z)-3-ethylidene-N-prop-1-en-2-ylpyrrol-2-amine?
The canonical SMILES for (3Z)-3-ethylidene-N-prop-1-en-2-ylpyrrol-2-amine is C=C(C)NC1=NC=C/C1=C/C.
What is the InChIKey of (3Z)-3-ethylidene-N-prop-1-en-2-ylpyrrol-2-amine?
The InChIKey is PLDYFNYWIMJDPV-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-8-5-6-10-9(8)11-7(2)3/h4-6H,2H2,1,3H3,(H,10,11)/b8-4-.
What are the key properties of (3Z)-3-ethylidene-N-prop-1-en-2-ylpyrrol-2-amine?
(3Z)-3-ethylidene-N-prop-1-en-2-ylpyrrol-2-amine has a molecular weight of 148.21 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-N-prop-1-en-2-ylpyrrol-2-amine is sourced from PubChem (CID 167112837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).