(3Z)-3-(2-ethylidene-1H-pyrrol-3-ylidene)butan-1-imine

C10H14N2 — CID 123660696

IUPAC(3Z)-3-(2-ethylidene-1H-pyrrol-3-ylidene)butan-1-imine
SMILES[H]/N=C/C/C(C)=c1/cc[nH]c1=CC
InChIInChI=1S/C10H14N2/c1-3-10-9(5-7-12-10)8(2)4-6-11/h3,5-7,11-12H,4H2,1-2H3/b9-8-,10-3?,11-6+
InChIKeyNYRMRAOAGKHPGX-AXYHBNEOSA-N
MW162.24 g/mol
LogP1.03
Rot. Bonds2

About (3Z)-3-(2-ethylidene-1H-pyrrol-3-ylidene)butan-1-imine

(3Z)-3-(2-ethylidene-1H-pyrrol-3-ylidene)butan-1-imine (PubChem CID 123660696) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (3Z)-3-(2-ethylidene-1H-pyrrol-3-ylidene)butan-1-imine.

Molecular Properties

Compound Name(3Z)-3-(2-ethylidene-1H-pyrrol-3-ylidene)butan-1-imine
PubChem CID123660696
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(3Z)-3-(2-ethylidene-1H-pyrrol-3-ylidene)butan-1-imine
SMILES[H]/N=C/C/C(C)=c1/cc[nH]c1=CC
InChIInChI=1S/C10H14N2/c1-3-10-9(5-7-12-10)8(2)4-6-11/h3,5-7,11-12H,4H2,1-2H3/b9-8-,10-3?,11-6+
InChIKeyNYRMRAOAGKHPGX-AXYHBNEOSA-N
XLogP1.03
TPSA39.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-3-(2-ethylidene-1H-pyrrol-3-ylidene)butan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-methyl-9-methylidene-8H-pyrrolo[2,3-d]azonine
CID 91195157
(6Z)-1H-Pyrrolo[2,3-d]azocine
CID 121232937
1,7-Dihydropyrrolo[3,2-c]azepine
CID 56997363
1,5-Dihydropyrrolo[2,3-c]azepine
CID 57325040
2,3-di(propan-2-ylidene)-1H-pyrrole
CID 57564401
N-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine
CID 59893816
N-[(2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine
CID 72589881
1,8-Dihydro-1,10-phenanthroline
CID 87724484
5-Methyl-1,5-dihydropyrrolo[2,3-c]azepine
CID 89029100
(Z)-[(2E)-2-propylidene-1H-pyrrol-3-ylidene]methanamine
CID 90129114
N-[(E)-[(3E)-3-butan-2-ylidene-1H-pyrrol-2-ylidene]methyl]ethanimidoyl chloride
CID 118680305
N-methyl-3-(2-methylidene-1H-pyrrol-3-ylidene)propan-1-imine
CID 123150234

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(2-ethylidene-1H-pyrrol-3-ylidene)butan-1-imine?
The IUPAC name of (3Z)-3-(2-ethylidene-1H-pyrrol-3-ylidene)butan-1-imine (CID 123660696) is (3Z)-3-(2-ethylidene-1H-pyrrol-3-ylidene)butan-1-imine.
What is the SMILES notation for (3Z)-3-(2-ethylidene-1H-pyrrol-3-ylidene)butan-1-imine?
The canonical SMILES for (3Z)-3-(2-ethylidene-1H-pyrrol-3-ylidene)butan-1-imine is [H]/N=C/C/C(C)=c1/cc[nH]c1=CC.
What is the InChIKey of (3Z)-3-(2-ethylidene-1H-pyrrol-3-ylidene)butan-1-imine?
The InChIKey is NYRMRAOAGKHPGX-AXYHBNEOSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-10-9(5-7-12-10)8(2)4-6-11/h3,5-7,11-12H,4H2,1-2H3/b9-8-,10-3?,11-6+.
What are the key properties of (3Z)-3-(2-ethylidene-1H-pyrrol-3-ylidene)butan-1-imine?
(3Z)-3-(2-ethylidene-1H-pyrrol-3-ylidene)butan-1-imine has a molecular weight of 162.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2-ethylidene-1H-pyrrol-3-ylidene)butan-1-imine is sourced from PubChem (CID 123660696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).