[(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

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).