1-(1-hydroxyethenylamino)-3-methylbutan-2-one

C7H13NO2 — CID 178093816

IUPAC1-(1-hydroxyethenylamino)-3-methylbutan-2-one
SMILESC=C(O)NCC(=O)C(C)C
InChIInChI=1S/C7H13NO2/c1-5(2)7(10)4-8-6(3)9/h5,8-9H,3-4H2,1-2H3
InChIKeyCXHCTCFCROBNLI-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.83
Rot. Bonds4

About 1-(1-hydroxyethenylamino)-3-methylbutan-2-one

1-(1-hydroxyethenylamino)-3-methylbutan-2-one (PubChem CID 178093816) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(1-hydroxyethenylamino)-3-methylbutan-2-one.

Molecular Properties

Compound Name1-(1-hydroxyethenylamino)-3-methylbutan-2-one
PubChem CID178093816
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-(1-hydroxyethenylamino)-3-methylbutan-2-one
SMILESC=C(O)NCC(=O)C(C)C
InChIInChI=1S/C7H13NO2/c1-5(2)7(10)4-8-6(3)9/h5,8-9H,3-4H2,1-2H3
InChIKeyCXHCTCFCROBNLI-UHFFFAOYSA-N
XLogP0.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(3-methyl-2-oxobutyl)urea
CID 20600814
1-amino-3-(3-methyl-2-oxobutyl)urea
CID 163254583
1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide
CID 59440307
4-[(3-methyl-2-oxobutyl)amino]-4-oxobutanethioic S-acid
CID 146619598
11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide
CID 138660324
(2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide
CID 169195729
2-methyl-N-(3-methyl-2-oxobutyl)pentanamide
CID 64996979
5-chloro-2-methylhex-5-en-3-one
CID 13108203
methane;methyl N-(3-methyl-2-oxobutyl)carbamate;N-(3-methyl-2-oxobutyl)acetamide
CID 162245001
N-(3-methyl-2-oxobutyl)cyclobutanecarboxamide
CID 64996921
N'-(3-methyl-2-oxobutyl)pentanediamide
CID 59531401
N-(3-methyl-2-oxobutyl)formamide
CID 64997253

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethenylamino)-3-methylbutan-2-one?
The IUPAC name of 1-(1-hydroxyethenylamino)-3-methylbutan-2-one (CID 178093816) is 1-(1-hydroxyethenylamino)-3-methylbutan-2-one.
What is the SMILES notation for 1-(1-hydroxyethenylamino)-3-methylbutan-2-one?
The canonical SMILES for 1-(1-hydroxyethenylamino)-3-methylbutan-2-one is C=C(O)NCC(=O)C(C)C.
What is the InChIKey of 1-(1-hydroxyethenylamino)-3-methylbutan-2-one?
The InChIKey is CXHCTCFCROBNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(2)7(10)4-8-6(3)9/h5,8-9H,3-4H2,1-2H3.
What are the key properties of 1-(1-hydroxyethenylamino)-3-methylbutan-2-one?
1-(1-hydroxyethenylamino)-3-methylbutan-2-one has a molecular weight of 143.19 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethenylamino)-3-methylbutan-2-one is sourced from PubChem (CID 178093816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).