5-ethenyl-3-methylidene-N,4-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-imine

C13H16N2 — CID 143620488

IUPAC5-ethenyl-3-methylidene-N,4-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-imine
SMILESC=CC1=C(/C=C\C)C(=C)/C(=N/C=C\C)N1
InChIInChI=1S/C13H16N2/c1-5-8-11-10(4)13(14-9-6-2)15-12(11)7-3/h5-9H,3-4H2,1-2H3,(H,14,15)/b8-5-,9-6-
InChIKeyUTHKRZMNVYTMCM-VVRUXRSYSA-N
MW200.28 g/mol
LogP3.09
Rot. Bonds3

About 5-ethenyl-3-methylidene-N,4-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-imine

5-ethenyl-3-methylidene-N,4-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-imine (PubChem CID 143620488) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-ethenyl-3-methylidene-N,4-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-imine.

Molecular Properties

Compound Name5-ethenyl-3-methylidene-N,4-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-imine
PubChem CID143620488
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name5-ethenyl-3-methylidene-N,4-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-imine
SMILESC=CC1=C(/C=C\C)C(=C)/C(=N/C=C\C)N1
InChIInChI=1S/C13H16N2/c1-5-8-11-10(4)13(14-9-6-2)15-12(11)7-3/h5-9H,3-4H2,1-2H3,(H,14,15)/b8-5-,9-6-
InChIKeyUTHKRZMNVYTMCM-VVRUXRSYSA-N
XLogP3.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
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 5-ethenyl-3-methylidene-N,4-bis[(Z)-prop-1-enyl]-1H-pyrrol-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

Related Compounds

5-fluoro-2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 142309044
(3E,5E)-N-(2-fluoroethyl)-N,6-dimethyl-7-[(4Z)-5-methylimino-4-propylidene-1H-pyrrol-2-yl]hepta-3,5-dien-1-yn-3-amine
CID 155197853
N-[(1Z)-1-fluorobuta-1,3-dien-2-yl]-5-methylidene-4-[(1E,3Z)-penta-1,3-dienyl]-4H-pyrimidin-6-amine
CID 174028718
5-Methyl-2,6-dihydropyrrolo[2,3-b]pyrrole
CID 70640497
N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide
CID 70875583
2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89000850
N'-methyl-2-[[(3E)-penta-1,3-dien-2-yl]amino]cyclohexa-1,3-diene-1-carboximidamide
CID 89091557
2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89230064
1-N-[(3E,4Z)-6-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-4-(aminomethylidene)-3-prop-2-enylidene-2-pyridinyl]-2-methylpropane-1,2-diamine
CID 89231364
CID 89244795
CID 89244795
(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 89289290
6-ethenyl-3-methylidene-5-N-propan-2-ylazepine-2,5-diamine
CID 90126466

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-methylidene-N,4-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-imine?
The IUPAC name of 5-ethenyl-3-methylidene-N,4-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-imine (CID 143620488) is 5-ethenyl-3-methylidene-N,4-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-imine.
What is the SMILES notation for 5-ethenyl-3-methylidene-N,4-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-imine?
The canonical SMILES for 5-ethenyl-3-methylidene-N,4-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-imine is C=CC1=C(/C=C\C)C(=C)/C(=N/C=C\C)N1.
What is the InChIKey of 5-ethenyl-3-methylidene-N,4-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-imine?
The InChIKey is UTHKRZMNVYTMCM-VVRUXRSYSA-N. The full InChI is InChI=1S/C13H16N2/c1-5-8-11-10(4)13(14-9-6-2)15-12(11)7-3/h5-9H,3-4H2,1-2H3,(H,14,15)/b8-5-,9-6-.
What are the key properties of 5-ethenyl-3-methylidene-N,4-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-imine?
5-ethenyl-3-methylidene-N,4-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-imine has a molecular weight of 200.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-methylidene-N,4-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-imine is sourced from PubChem (CID 143620488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).