4-[(Z)-but-2-enyl]-3-methylidene-2,4-dihydropyrrole

C9H13N — CID 130413605

IUPAC4-[(Z)-but-2-enyl]-3-methylidene-2,4-dihydropyrrole
SMILESC=C1CN=CC1C/C=C\C
InChIInChI=1S/C9H13N/c1-3-4-5-9-7-10-6-8(9)2/h3-4,7,9H,2,5-6H2,1H3/b4-3-
InChIKeyONZDCZOMZGJVIQ-ARJAWSKDSA-N
MW135.21 g/mol
LogP2.21
Rot. Bonds2

About 4-[(Z)-but-2-enyl]-3-methylidene-2,4-dihydropyrrole

4-[(Z)-but-2-enyl]-3-methylidene-2,4-dihydropyrrole (PubChem CID 130413605) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 4-[(Z)-but-2-enyl]-3-methylidene-2,4-dihydropyrrole.

Molecular Properties

Compound Name4-[(Z)-but-2-enyl]-3-methylidene-2,4-dihydropyrrole
PubChem CID130413605
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name4-[(Z)-but-2-enyl]-3-methylidene-2,4-dihydropyrrole
SMILESC=C1CN=CC1C/C=C\C
InChIInChI=1S/C9H13N/c1-3-4-5-9-7-10-6-8(9)2/h3-4,7,9H,2,5-6H2,1H3/b4-3-
InChIKeyONZDCZOMZGJVIQ-ARJAWSKDSA-N
XLogP2.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(Z)-but-2-enyl]-3-methylidene-2,4-dihydropyrrole 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 4-[(Z)-but-2-enyl]-3-methylidene-2,4-dihydropyrrole?
The IUPAC name of 4-[(Z)-but-2-enyl]-3-methylidene-2,4-dihydropyrrole (CID 130413605) is 4-[(Z)-but-2-enyl]-3-methylidene-2,4-dihydropyrrole.
What is the SMILES notation for 4-[(Z)-but-2-enyl]-3-methylidene-2,4-dihydropyrrole?
The canonical SMILES for 4-[(Z)-but-2-enyl]-3-methylidene-2,4-dihydropyrrole is C=C1CN=CC1C/C=C\C.
What is the InChIKey of 4-[(Z)-but-2-enyl]-3-methylidene-2,4-dihydropyrrole?
The InChIKey is ONZDCZOMZGJVIQ-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H13N/c1-3-4-5-9-7-10-6-8(9)2/h3-4,7,9H,2,5-6H2,1H3/b4-3-.
What are the key properties of 4-[(Z)-but-2-enyl]-3-methylidene-2,4-dihydropyrrole?
4-[(Z)-but-2-enyl]-3-methylidene-2,4-dihydropyrrole has a molecular weight of 135.21 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-enyl]-3-methylidene-2,4-dihydropyrrole is sourced from PubChem (CID 130413605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).