(Z)-[(2E)-2-propylidene-1H-pyrrol-3-ylidene]methanamine

C8H12N2 — CID 90129114

IUPAC(Z)-[(2E)-2-propylidene-1H-pyrrol-3-ylidene]methanamine
SMILESCC/C=c1/[nH]cc/c1=C/N
InChIInChI=1S/C8H12N2/c1-2-3-8-7(6-9)4-5-10-8/h3-6,10H,2,9H2,1H3/b7-6-,8-3+
InChIKeyBDLCVNRVJNWMGO-OHRKGSQHSA-N
MW136.20 g/mol
LogP-0.10
Rot. Bonds1

About (Z)-[(2E)-2-propylidene-1H-pyrrol-3-ylidene]methanamine

(Z)-[(2E)-2-propylidene-1H-pyrrol-3-ylidene]methanamine (PubChem CID 90129114) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (Z)-[(2E)-2-propylidene-1H-pyrrol-3-ylidene]methanamine.

Molecular Properties

Compound Name(Z)-[(2E)-2-propylidene-1H-pyrrol-3-ylidene]methanamine
PubChem CID90129114
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(Z)-[(2E)-2-propylidene-1H-pyrrol-3-ylidene]methanamine
SMILESCC/C=c1/[nH]cc/c1=C/N
InChIInChI=1S/C8H12N2/c1-2-3-8-7(6-9)4-5-10-8/h3-6,10H,2,9H2,1H3/b7-6-,8-3+
InChIKeyBDLCVNRVJNWMGO-OHRKGSQHSA-N
XLogP-0.10
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (Z)-[(2E)-2-propylidene-1H-pyrrol-3-ylidene]methanamine 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 (Z)-[(2E)-2-propylidene-1H-pyrrol-3-ylidene]methanamine?
The IUPAC name of (Z)-[(2E)-2-propylidene-1H-pyrrol-3-ylidene]methanamine (CID 90129114) is (Z)-[(2E)-2-propylidene-1H-pyrrol-3-ylidene]methanamine.
What is the SMILES notation for (Z)-[(2E)-2-propylidene-1H-pyrrol-3-ylidene]methanamine?
The canonical SMILES for (Z)-[(2E)-2-propylidene-1H-pyrrol-3-ylidene]methanamine is CC/C=c1/[nH]cc/c1=C/N.
What is the InChIKey of (Z)-[(2E)-2-propylidene-1H-pyrrol-3-ylidene]methanamine?
The InChIKey is BDLCVNRVJNWMGO-OHRKGSQHSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-3-8-7(6-9)4-5-10-8/h3-6,10H,2,9H2,1H3/b7-6-,8-3+.
What are the key properties of (Z)-[(2E)-2-propylidene-1H-pyrrol-3-ylidene]methanamine?
(Z)-[(2E)-2-propylidene-1H-pyrrol-3-ylidene]methanamine has a molecular weight of 136.20 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[(2E)-2-propylidene-1H-pyrrol-3-ylidene]methanamine is sourced from PubChem (CID 90129114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).