N-(1-hydroxypropyl)prop-2-enamide

C6H11NO2 — CID 22015253

IUPACN-(1-hydroxypropyl)prop-2-enamide
SMILESC=CC(=O)NC(O)CC
InChIInChI=1S/C6H11NO2/c1-3-5(8)7-6(9)4-2/h3,6,9H,1,4H2,2H3,(H,7,8)
InChIKeyAADPGYDUTSGSMI-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.02
Rot. Bonds3

About N-(1-hydroxypropyl)prop-2-enamide

N-(1-hydroxypropyl)prop-2-enamide (PubChem CID 22015253) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-(1-hydroxypropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxypropyl)prop-2-enamide
PubChem CID22015253
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-(1-hydroxypropyl)prop-2-enamide
SMILESC=CC(=O)NC(O)CC
InChIInChI=1S/C6H11NO2/c1-3-5(8)7-6(9)4-2/h3,6,9H,1,4H2,2H3,(H,7,8)
InChIKeyAADPGYDUTSGSMI-UHFFFAOYSA-N
XLogP0.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.02
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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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropyl)prop-2-enamide?
The IUPAC name of N-(1-hydroxypropyl)prop-2-enamide (CID 22015253) is N-(1-hydroxypropyl)prop-2-enamide.
What is the SMILES notation for N-(1-hydroxypropyl)prop-2-enamide?
The canonical SMILES for N-(1-hydroxypropyl)prop-2-enamide is C=CC(=O)NC(O)CC.
What is the InChIKey of N-(1-hydroxypropyl)prop-2-enamide?
The InChIKey is AADPGYDUTSGSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-5(8)7-6(9)4-2/h3,6,9H,1,4H2,2H3,(H,7,8).
What are the key properties of N-(1-hydroxypropyl)prop-2-enamide?
N-(1-hydroxypropyl)prop-2-enamide has a molecular weight of 129.16 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropyl)prop-2-enamide is sourced from PubChem (CID 22015253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).