2-hydroxy-N-prop-2-enylbutanamide

C7H13NO2 — CID 87501245

IUPAC2-hydroxy-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(O)CC
InChIInChI=1S/C7H13NO2/c1-3-5-8-7(10)6(9)4-2/h3,6,9H,1,4-5H2,2H3,(H,8,10)
InChIKeyDKXBCSWWCVNBJJ-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.06
Rot. Bonds4

About 2-hydroxy-N-prop-2-enylbutanamide

2-hydroxy-N-prop-2-enylbutanamide (PubChem CID 87501245) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-hydroxy-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name2-hydroxy-N-prop-2-enylbutanamide
PubChem CID87501245
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-hydroxy-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(O)CC
InChIInChI=1S/C7H13NO2/c1-3-5-8-7(10)6(9)4-2/h3,6,9H,1,4-5H2,2H3,(H,8,10)
InChIKeyDKXBCSWWCVNBJJ-UHFFFAOYSA-N
XLogP0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-prop-2-enylbutanamide?
The IUPAC name of 2-hydroxy-N-prop-2-enylbutanamide (CID 87501245) is 2-hydroxy-N-prop-2-enylbutanamide.
What is the SMILES notation for 2-hydroxy-N-prop-2-enylbutanamide?
The canonical SMILES for 2-hydroxy-N-prop-2-enylbutanamide is C=CCNC(=O)C(O)CC.
What is the InChIKey of 2-hydroxy-N-prop-2-enylbutanamide?
The InChIKey is DKXBCSWWCVNBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-5-8-7(10)6(9)4-2/h3,6,9H,1,4-5H2,2H3,(H,8,10).
What are the key properties of 2-hydroxy-N-prop-2-enylbutanamide?
2-hydroxy-N-prop-2-enylbutanamide has a molecular weight of 143.19 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-prop-2-enylbutanamide is sourced from PubChem (CID 87501245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).