N-(2-hydroxybutan-2-yl)prop-2-enamide

C7H13NO2 — CID 118588252

IUPACN-(2-hydroxybutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(O)CC
InChIInChI=1S/C7H13NO2/c1-4-6(9)8-7(3,10)5-2/h4,10H,1,5H2,2-3H3,(H,8,9)
InChIKeyXJWDUJWITQULJK-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.41
Rot. Bonds3

About N-(2-hydroxybutan-2-yl)prop-2-enamide

N-(2-hydroxybutan-2-yl)prop-2-enamide (PubChem CID 118588252) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(2-hydroxybutan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxybutan-2-yl)prop-2-enamide
PubChem CID118588252
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-(2-hydroxybutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(O)CC
InChIInChI=1S/C7H13NO2/c1-4-6(9)8-7(3,10)5-2/h4,10H,1,5H2,2-3H3,(H,8,9)
InChIKeyXJWDUJWITQULJK-UHFFFAOYSA-N
XLogP0.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxytridecan-2-yl)prop-2-enamide
CID 141282485
N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide
CID 21274347
N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338
N-tert-butylprop-2-enamide;sulfane
CID 158648389
N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 19357497
azane;2-(prop-2-enoylamino)butane-2-sulfonic acid
CID 174864476
N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide
CID 63887567
N-[4-(aminomethyl)-3-methylhexan-3-yl]prop-2-enamide
CID 88844465
trimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride
CID 11775668
2-(prop-2-enoylamino)butan-2-yl hydrogen sulfate
CID 151282656
N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride
CID 173206543
N-(2-ethyl-2-methylbutyl)prop-2-enamide
CID 146614205

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxybutan-2-yl)prop-2-enamide?
The IUPAC name of N-(2-hydroxybutan-2-yl)prop-2-enamide (CID 118588252) is N-(2-hydroxybutan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2-hydroxybutan-2-yl)prop-2-enamide?
The canonical SMILES for N-(2-hydroxybutan-2-yl)prop-2-enamide is C=CC(=O)NC(C)(O)CC.
What is the InChIKey of N-(2-hydroxybutan-2-yl)prop-2-enamide?
The InChIKey is XJWDUJWITQULJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-6(9)8-7(3,10)5-2/h4,10H,1,5H2,2-3H3,(H,8,9).
What are the key properties of N-(2-hydroxybutan-2-yl)prop-2-enamide?
N-(2-hydroxybutan-2-yl)prop-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxybutan-2-yl)prop-2-enamide is sourced from PubChem (CID 118588252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).