N-(1-hydroxybutan-2-yl)prop-2-enamide

C7H13NO2 — CID 19357460

IUPACN-(1-hydroxybutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(CC)CO
InChIInChI=1S/C7H13NO2/c1-3-6(5-9)8-7(10)4-2/h4,6,9H,2-3,5H2,1H3,(H,8,10)
InChIKeyCJDWAHPSQSGIRR-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.06
Rot. Bonds4

About N-(1-hydroxybutan-2-yl)prop-2-enamide

N-(1-hydroxybutan-2-yl)prop-2-enamide (PubChem CID 19357460) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)prop-2-enamide
PubChem CID19357460
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-(1-hydroxybutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(CC)CO
InChIInChI=1S/C7H13NO2/c1-3-6(5-9)8-7(10)4-2/h4,6,9H,2-3,5H2,1H3,(H,8,10)
InChIKeyCJDWAHPSQSGIRR-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)prop-2-enamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)prop-2-enamide (CID 19357460) is N-(1-hydroxybutan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)prop-2-enamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)prop-2-enamide is C=CC(=O)NC(CC)CO.
What is the InChIKey of N-(1-hydroxybutan-2-yl)prop-2-enamide?
The InChIKey is CJDWAHPSQSGIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-6(5-9)8-7(10)4-2/h4,6,9H,2-3,5H2,1H3,(H,8,10).
What are the key properties of N-(1-hydroxybutan-2-yl)prop-2-enamide?
N-(1-hydroxybutan-2-yl)prop-2-enamide 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 N-(1-hydroxybutan-2-yl)prop-2-enamide is sourced from PubChem (CID 19357460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).