N-[(E)-1-methyliminobut-2-en-2-yl]acetamide

C7H12N2O — CID 147769597

IUPACN-[(E)-1-methyliminobut-2-en-2-yl]acetamide
SMILESC/C=C(\C=N\C)NC(C)=O
InChIInChI=1S/C7H12N2O/c1-4-7(5-8-3)9-6(2)10/h4-5H,1-3H3,(H,9,10)/b7-4+,8-5+
InChIKeyHFRBDRWRCOWEQD-NSLJXJERSA-N
MW140.19 g/mol
LogP0.73
Rot. Bonds2

About N-[(E)-1-methyliminobut-2-en-2-yl]acetamide

N-[(E)-1-methyliminobut-2-en-2-yl]acetamide (PubChem CID 147769597) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-[(E)-1-methyliminobut-2-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-1-methyliminobut-2-en-2-yl]acetamide
PubChem CID147769597
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-[(E)-1-methyliminobut-2-en-2-yl]acetamide
SMILESC/C=C(\C=N\C)NC(C)=O
InChIInChI=1S/C7H12N2O/c1-4-7(5-8-3)9-6(2)10/h4-5H,1-3H3,(H,9,10)/b7-4+,8-5+
InChIKeyHFRBDRWRCOWEQD-NSLJXJERSA-N
XLogP0.73
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-(3H-pyridin-1-ium-5-yl)acetamide
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N-(2-oxo-3H-pyridin-5-yl)acetamide
CID 57246209
N-(5-methyliminopenta-1,3-dien-3-yl)acetamide
CID 74046699
N-[(Z)-3-aminobut-2-enylidene]acetamide
CID 88944313
N-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]acetamide
CID 90091431
N-(3-methyliminoprop-1-en-2-yl)prop-2-enamide
CID 90098249
N-(2H-1,4-diazepin-6-yl)acetamide
CID 90891491
N-but-1-en-2-yl-2-methyliminoacetamide
CID 122545106
N-(2H-azepin-6-yl)acetamide
CID 123439367

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-methyliminobut-2-en-2-yl]acetamide?
The IUPAC name of N-[(E)-1-methyliminobut-2-en-2-yl]acetamide (CID 147769597) is N-[(E)-1-methyliminobut-2-en-2-yl]acetamide.
What is the SMILES notation for N-[(E)-1-methyliminobut-2-en-2-yl]acetamide?
The canonical SMILES for N-[(E)-1-methyliminobut-2-en-2-yl]acetamide is C/C=C(\C=N\C)NC(C)=O.
What is the InChIKey of N-[(E)-1-methyliminobut-2-en-2-yl]acetamide?
The InChIKey is HFRBDRWRCOWEQD-NSLJXJERSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-7(5-8-3)9-6(2)10/h4-5H,1-3H3,(H,9,10)/b7-4+,8-5+.
What are the key properties of N-[(E)-1-methyliminobut-2-en-2-yl]acetamide?
N-[(E)-1-methyliminobut-2-en-2-yl]acetamide has a molecular weight of 140.19 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-methyliminobut-2-en-2-yl]acetamide is sourced from PubChem (CID 147769597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).