[(Z)-2-(buta-1,3-dien-2-ylamino)ethenyl]-methylcyanamide

C8H11N3 — CID 126684350

IUPAC[(Z)-2-(buta-1,3-dien-2-ylamino)ethenyl]-methylcyanamide
SMILESC=CC(=C)N/C=C\N(C)C#N
InChIInChI=1S/C8H11N3/c1-4-8(2)10-5-6-11(3)7-9/h4-6,10H,1-2H2,3H3/b6-5-
InChIKeyRFABWNZZKUKUOL-WAYWQWQTSA-N
MW149.20 g/mol
LogP1.16
Rot. Bonds4

About [(Z)-2-(buta-1,3-dien-2-ylamino)ethenyl]-methylcyanamide

[(Z)-2-(buta-1,3-dien-2-ylamino)ethenyl]-methylcyanamide (PubChem CID 126684350) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is [(Z)-2-(buta-1,3-dien-2-ylamino)ethenyl]-methylcyanamide.

Molecular Properties

Compound Name[(Z)-2-(buta-1,3-dien-2-ylamino)ethenyl]-methylcyanamide
PubChem CID126684350
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name[(Z)-2-(buta-1,3-dien-2-ylamino)ethenyl]-methylcyanamide
SMILESC=CC(=C)N/C=C\N(C)C#N
InChIInChI=1S/C8H11N3/c1-4-8(2)10-5-6-11(3)7-9/h4-6,10H,1-2H2,3H3/b6-5-
InChIKeyRFABWNZZKUKUOL-WAYWQWQTSA-N
XLogP1.16
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(Z)-2-(buta-1,3-dien-2-ylamino)ethenyl]-methylcyanamide 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

(Z)-N-buta-1,3-dien-2-yl-N',N'-dimethylethene-1,2-diamine
CID 126614791
(Z)-N-[(3Z)-4-iodobuta-1,3-dien-2-yl]-N',N'-dimethylethene-1,2-diamine
CID 134482442
3-(buta-1,3-dien-2-ylamino)-4-[ethyl(methyl)amino]butanenitrile
CID 142595538
2-ethenyl-4-methylpenta-2,4-dienenitrile
CID 123944173
2-(1-aminoprop-2-enylidene)propanedinitrile
CID 18620400
buta-1,3-diene;2-methylbuta-1,3-diene;2-methylprop-2-enenitrile
CID 174444514
(2E)-2-ethenyl-4-methylpenta-2,4-dienenitrile;methanamine
CID 143876446
(Z)-N-ethenyl-N',N'-dimethylethene-1,2-diamine
CID 139522049
methane;oxalonitrile;prop-1-ene
CID 174445104
methanol;prop-2-enenitrile
CID 19700097
2-(dimethylamino)-2,3-dimethylbut-3-enenitrile
CID 12526686
[(E)-2-(dimethylamino)ethenyl]thiourea
CID 156593609

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-(buta-1,3-dien-2-ylamino)ethenyl]-methylcyanamide?
The IUPAC name of [(Z)-2-(buta-1,3-dien-2-ylamino)ethenyl]-methylcyanamide (CID 126684350) is [(Z)-2-(buta-1,3-dien-2-ylamino)ethenyl]-methylcyanamide.
What is the SMILES notation for [(Z)-2-(buta-1,3-dien-2-ylamino)ethenyl]-methylcyanamide?
The canonical SMILES for [(Z)-2-(buta-1,3-dien-2-ylamino)ethenyl]-methylcyanamide is C=CC(=C)N/C=C\N(C)C#N.
What is the InChIKey of [(Z)-2-(buta-1,3-dien-2-ylamino)ethenyl]-methylcyanamide?
The InChIKey is RFABWNZZKUKUOL-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H11N3/c1-4-8(2)10-5-6-11(3)7-9/h4-6,10H,1-2H2,3H3/b6-5-.
What are the key properties of [(Z)-2-(buta-1,3-dien-2-ylamino)ethenyl]-methylcyanamide?
[(Z)-2-(buta-1,3-dien-2-ylamino)ethenyl]-methylcyanamide has a molecular weight of 149.20 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-(buta-1,3-dien-2-ylamino)ethenyl]-methylcyanamide is sourced from PubChem (CID 126684350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).