N-[(Z)-1-aminobut-2-enylidene]acetamide;ethane

C8H16N2O — CID 144985407

IUPACN-[(Z)-1-aminobut-2-enylidene]acetamide;ethane
SMILESC/C=C\C(N)=N\C(C)=O.CC
InChIInChI=1S/C6H10N2O.C2H6/c1-3-4-6(7)8-5(2)9;1-2/h3-4H,1-2H3,(H2,7,8,9);1-2H3/b4-3-;
InChIKeyOGBZTVOXVXJGJT-LNKPDPKZSA-N
MW156.23 g/mol
LogP1.49
Rot. Bonds1

About N-[(Z)-1-aminobut-2-enylidene]acetamide;ethane

N-[(Z)-1-aminobut-2-enylidene]acetamide;ethane (PubChem CID 144985407) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-[(Z)-1-aminobut-2-enylidene]acetamide;ethane.

Molecular Properties

Compound NameN-[(Z)-1-aminobut-2-enylidene]acetamide;ethane
PubChem CID144985407
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-[(Z)-1-aminobut-2-enylidene]acetamide;ethane
SMILESC/C=C\C(N)=N\C(C)=O.CC
InChIInChI=1S/C6H10N2O.C2H6/c1-3-4-6(7)8-5(2)9;1-2/h3-4H,1-2H3,(H2,7,8,9);1-2H3/b4-3-;
InChIKeyOGBZTVOXVXJGJT-LNKPDPKZSA-N
XLogP1.49
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(E)-N'-aminobut-2-enimidamide
CID 142083872
(E)-but-2-enamide;ethane
CID 145356551
N'-hydroxybut-2-enimidamide
CID 91580832
(Z)-but-2-enamide;(E)-but-2-enamide;methane
CID 163931576
ethane;methane;(E)-pent-3-en-2-one
CID 157296022
N-[(Z)-1-aminobut-2-enylidene]butanamide;formaldehyde;2-methylpropanal
CID 168936579
pent-3-en-2-one
CID 12248
(Z)-N'-[(E)-2-amino-2-bromo-1-cyanoethenyl]but-2-enimidamide
CID 166992371
hepta-2,5-dien-4-one
CID 54179619
(Z)-2-methyliminopent-3-enamide
CID 126689701
acetic acid;N-(diaminomethylidene)acetamide;zirconium
CID 174956391
(2Z,4E)-6-methyliminohepta-2,4-dien-4-amine
CID 138740142

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-aminobut-2-enylidene]acetamide;ethane?
The IUPAC name of N-[(Z)-1-aminobut-2-enylidene]acetamide;ethane (CID 144985407) is N-[(Z)-1-aminobut-2-enylidene]acetamide;ethane.
What is the SMILES notation for N-[(Z)-1-aminobut-2-enylidene]acetamide;ethane?
The canonical SMILES for N-[(Z)-1-aminobut-2-enylidene]acetamide;ethane is C/C=C\C(N)=N\C(C)=O.CC.
What is the InChIKey of N-[(Z)-1-aminobut-2-enylidene]acetamide;ethane?
The InChIKey is OGBZTVOXVXJGJT-LNKPDPKZSA-N. The full InChI is InChI=1S/C6H10N2O.C2H6/c1-3-4-6(7)8-5(2)9;1-2/h3-4H,1-2H3,(H2,7,8,9);1-2H3/b4-3-;.
What are the key properties of N-[(Z)-1-aminobut-2-enylidene]acetamide;ethane?
N-[(Z)-1-aminobut-2-enylidene]acetamide;ethane has a molecular weight of 156.23 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-aminobut-2-enylidene]acetamide;ethane is sourced from PubChem (CID 144985407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).