(3Z)-1-cyclopentyl-3-ethylidene-5-methanimidoyl-N,4-dimethylpyrrol-2-imine

C14H21N3 — CID 143829563

IUPAC(3Z)-1-cyclopentyl-3-ethylidene-5-methanimidoyl-N,4-dimethylpyrrol-2-imine
SMILES[H]/N=C/C1=C(C)C(=C/C)/C(=N\C)N1C1CCCC1
InChIInChI=1S/C14H21N3/c1-4-12-10(2)13(9-15)17(14(12)16-3)11-7-5-6-8-11/h4,9,11,15H,5-8H2,1-3H3/b12-4-,15-9+,16-14+
InChIKeyDJBFFOSATMJWER-ZQHZRPJDSA-N
MW231.34 g/mol
LogP3.14
Rot. Bonds2

About (3Z)-1-cyclopentyl-3-ethylidene-5-methanimidoyl-N,4-dimethylpyrrol-2-imine

(3Z)-1-cyclopentyl-3-ethylidene-5-methanimidoyl-N,4-dimethylpyrrol-2-imine (PubChem CID 143829563) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (3Z)-1-cyclopentyl-3-ethylidene-5-methanimidoyl-N,4-dimethylpyrrol-2-imine.

Molecular Properties

Compound Name(3Z)-1-cyclopentyl-3-ethylidene-5-methanimidoyl-N,4-dimethylpyrrol-2-imine
PubChem CID143829563
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(3Z)-1-cyclopentyl-3-ethylidene-5-methanimidoyl-N,4-dimethylpyrrol-2-imine
SMILES[H]/N=C/C1=C(C)C(=C/C)/C(=N\C)N1C1CCCC1
InChIInChI=1S/C14H21N3/c1-4-12-10(2)13(9-15)17(14(12)16-3)11-7-5-6-8-11/h4,9,11,15H,5-8H2,1-3H3/b12-4-,15-9+,16-14+
InChIKeyDJBFFOSATMJWER-ZQHZRPJDSA-N
XLogP3.14
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-1-cyclopentyl-3-ethylidene-5-methanimidoyl-N,4-dimethylpyrrol-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 (3Z)-1-cyclopentyl-3-ethylidene-5-methanimidoyl-N,4-dimethylpyrrol-2-imine?
The IUPAC name of (3Z)-1-cyclopentyl-3-ethylidene-5-methanimidoyl-N,4-dimethylpyrrol-2-imine (CID 143829563) is (3Z)-1-cyclopentyl-3-ethylidene-5-methanimidoyl-N,4-dimethylpyrrol-2-imine.
What is the SMILES notation for (3Z)-1-cyclopentyl-3-ethylidene-5-methanimidoyl-N,4-dimethylpyrrol-2-imine?
The canonical SMILES for (3Z)-1-cyclopentyl-3-ethylidene-5-methanimidoyl-N,4-dimethylpyrrol-2-imine is [H]/N=C/C1=C(C)C(=C/C)/C(=N\C)N1C1CCCC1.
What is the InChIKey of (3Z)-1-cyclopentyl-3-ethylidene-5-methanimidoyl-N,4-dimethylpyrrol-2-imine?
The InChIKey is DJBFFOSATMJWER-ZQHZRPJDSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-12-10(2)13(9-15)17(14(12)16-3)11-7-5-6-8-11/h4,9,11,15H,5-8H2,1-3H3/b12-4-,15-9+,16-14+.
What are the key properties of (3Z)-1-cyclopentyl-3-ethylidene-5-methanimidoyl-N,4-dimethylpyrrol-2-imine?
(3Z)-1-cyclopentyl-3-ethylidene-5-methanimidoyl-N,4-dimethylpyrrol-2-imine has a molecular weight of 231.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-cyclopentyl-3-ethylidene-5-methanimidoyl-N,4-dimethylpyrrol-2-imine is sourced from PubChem (CID 143829563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).