N-[(Z)-3-iminobut-1-enyl]acetamide

C6H10N2O — CID 154006455

IUPACN-[(Z)-3-iminobut-1-enyl]acetamide
SMILES[H]/N=C(C)/C=C\NC(C)=O
InChIInChI=1S/C6H10N2O/c1-5(7)3-4-8-6(2)9/h3-4,7H,1-2H3,(H,8,9)/b4-3-,7-5+
InChIKeyYQGXCNJAYKXYSW-QVXLNCAUSA-N
MW126.16 g/mol
LogP0.68
Rot. Bonds2

About N-[(Z)-3-iminobut-1-enyl]acetamide

N-[(Z)-3-iminobut-1-enyl]acetamide (PubChem CID 154006455) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is N-[(Z)-3-iminobut-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-3-iminobut-1-enyl]acetamide
PubChem CID154006455
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC NameN-[(Z)-3-iminobut-1-enyl]acetamide
SMILES[H]/N=C(C)/C=C\NC(C)=O
InChIInChI=1S/C6H10N2O/c1-5(7)3-4-8-6(2)9/h3-4,7H,1-2H3,(H,8,9)/b4-3-,7-5+
InChIKeyYQGXCNJAYKXYSW-QVXLNCAUSA-N
XLogP0.68
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-iminobut-1-enyl]acetamide?
The IUPAC name of N-[(Z)-3-iminobut-1-enyl]acetamide (CID 154006455) is N-[(Z)-3-iminobut-1-enyl]acetamide.
What is the SMILES notation for N-[(Z)-3-iminobut-1-enyl]acetamide?
The canonical SMILES for N-[(Z)-3-iminobut-1-enyl]acetamide is [H]/N=C(C)/C=C\NC(C)=O.
What is the InChIKey of N-[(Z)-3-iminobut-1-enyl]acetamide?
The InChIKey is YQGXCNJAYKXYSW-QVXLNCAUSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(7)3-4-8-6(2)9/h3-4,7H,1-2H3,(H,8,9)/b4-3-,7-5+.
What are the key properties of N-[(Z)-3-iminobut-1-enyl]acetamide?
N-[(Z)-3-iminobut-1-enyl]acetamide has a molecular weight of 126.16 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-iminobut-1-enyl]acetamide is sourced from PubChem (CID 154006455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).