3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine

C14H22N2 — CID 144801077

IUPAC3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine
SMILESC=C1C=C(CCC)N(CCC)/C1=N/C=C\C
InChIInChI=1S/C14H22N2/c1-5-8-13-11-12(4)14(15-9-6-2)16(13)10-7-3/h6,9,11H,4-5,7-8,10H2,1-3H3/b9-6-,15-14+
InChIKeyPMNJZPXWEMTXCK-LSEOUJGGSA-N
MW218.34 g/mol
LogP3.88
Rot. Bonds5

About 3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine

3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine (PubChem CID 144801077) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine.

Molecular Properties

Compound Name3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine
PubChem CID144801077
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine
SMILESC=C1C=C(CCC)N(CCC)/C1=N/C=C\C
InChIInChI=1S/C14H22N2/c1-5-8-13-11-12(4)14(15-9-6-2)16(13)10-7-3/h6,9,11H,4-5,7-8,10H2,1-3H3/b9-6-,15-14+
InChIKeyPMNJZPXWEMTXCK-LSEOUJGGSA-N
XLogP3.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-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 3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine?
The IUPAC name of 3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine (CID 144801077) is 3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine.
What is the SMILES notation for 3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine?
The canonical SMILES for 3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine is C=C1C=C(CCC)N(CCC)/C1=N/C=C\C.
What is the InChIKey of 3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine?
The InChIKey is PMNJZPXWEMTXCK-LSEOUJGGSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-8-13-11-12(4)14(15-9-6-2)16(13)10-7-3/h6,9,11H,4-5,7-8,10H2,1-3H3/b9-6-,15-14+.
What are the key properties of 3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine?
3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine has a molecular weight of 218.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine is sourced from PubChem (CID 144801077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).