2-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-3-imine

C8H10N2 — CID 137176679

IUPAC2-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-3-imine
SMILESC=C1NC=C/C1=N\C=C/C
InChIInChI=1S/C8H10N2/c1-3-5-10-8-4-6-9-7(8)2/h3-6,9H,2H2,1H3/b5-3-,10-8+
InChIKeyFHYYZAXDWPJDHD-WEZLDLNLSA-N
MW134.18 g/mol
LogP1.59
Rot. Bonds1

About 2-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-3-imine

2-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-3-imine (PubChem CID 137176679) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-3-imine.

Molecular Properties

Compound Name2-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-3-imine
PubChem CID137176679
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-3-imine
SMILESC=C1NC=C/C1=N\C=C/C
InChIInChI=1S/C8H10N2/c1-3-5-10-8-4-6-9-7(8)2/h3-6,9H,2H2,1H3/b5-3-,10-8+
InChIKeyFHYYZAXDWPJDHD-WEZLDLNLSA-N
XLogP1.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-3-imine 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-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-3-imine?
The IUPAC name of 2-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-3-imine (CID 137176679) is 2-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-3-imine.
What is the SMILES notation for 2-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-3-imine?
The canonical SMILES for 2-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-3-imine is C=C1NC=C/C1=N\C=C/C.
What is the InChIKey of 2-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-3-imine?
The InChIKey is FHYYZAXDWPJDHD-WEZLDLNLSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-5-10-8-4-6-9-7(8)2/h3-6,9H,2H2,1H3/b5-3-,10-8+.
What are the key properties of 2-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-3-imine?
2-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-3-imine has a molecular weight of 134.18 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-3-imine is sourced from PubChem (CID 137176679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).