N-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]formamide

C6H8N2O — CID 143106868

IUPACN-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]formamide
SMILESC=C/C=C(\N=C)NC=O
InChIInChI=1S/C6H8N2O/c1-3-4-6(7-2)8-5-9/h3-5H,1-2H2,(H,8,9)/b6-4+
InChIKeyIMCUDXUAEVTVGB-GQCTYLIASA-N
MW124.14 g/mol
LogP0.46
Rot. Bonds4

About N-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]formamide

N-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]formamide (PubChem CID 143106868) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is N-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]formamide.

Molecular Properties

Compound NameN-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]formamide
PubChem CID143106868
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC NameN-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]formamide
SMILESC=C/C=C(\N=C)NC=O
InChIInChI=1S/C6H8N2O/c1-3-4-6(7-2)8-5-9/h3-5H,1-2H2,(H,8,9)/b6-4+
InChIKeyIMCUDXUAEVTVGB-GQCTYLIASA-N
XLogP0.46
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E)-N-[(Z)-ethylideneamino]-1-(methylideneamino)buta-1,3-dien-1-amine
CID 90210922
N-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]formamide
CID 143633912
methyl 3-[[(1Z)-1-(methylideneamino)buta-1,3-dienyl]amino]benzoate
CID 156753613
ethane;1-fluoro-2-methylbenzene;N-[(3E)-hexa-1,3,5-trien-3-yl]formamide
CID 143900311
(2Z)-2-(methylideneamino)penta-2,4-dien-1-ol
CID 143712390
N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide
CID 142315357
ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide
CID 144623229
butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide
CID 142225178
4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide
CID 142586076
N-[(2E,4E)-5-cyanohepta-2,4,6-trien-2-yl]formamide
CID 163488499
(2E,4Z)-2-formyl-4-(methylideneamino)hepta-2,4,6-trienenitrile
CID 145284840
N-formylprop-2-enamide;bis(propan-2-one)
CID 22614021

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]formamide?
The IUPAC name of N-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]formamide (CID 143106868) is N-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]formamide.
What is the SMILES notation for N-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]formamide?
The canonical SMILES for N-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]formamide is C=C/C=C(\N=C)NC=O.
What is the InChIKey of N-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]formamide?
The InChIKey is IMCUDXUAEVTVGB-GQCTYLIASA-N. The full InChI is InChI=1S/C6H8N2O/c1-3-4-6(7-2)8-5-9/h3-5H,1-2H2,(H,8,9)/b6-4+.
What are the key properties of N-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]formamide?
N-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]formamide has a molecular weight of 124.14 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]formamide is sourced from PubChem (CID 143106868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).