N-(hydroxymethyl)prop-2-enamide

C4H7NO2 — CID 13543

IUPACN-(hydroxymethyl)prop-2-enamide
SMILESC=CC(=O)NCO
InChIInChI=1S/C4H7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2,(H,5,7)
InChIKeyCNCOEDDPFOAUMB-UHFFFAOYSA-N
MW101.10 g/mol
LogP-0.76
Rot. Bonds2

About N-(hydroxymethyl)prop-2-enamide

N-(hydroxymethyl)prop-2-enamide (PubChem CID 13543) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is N-(hydroxymethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(hydroxymethyl)prop-2-enamide
PubChem CID13543
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC NameN-(hydroxymethyl)prop-2-enamide
SMILESC=CC(=O)NCO
InChIInChI=1S/C4H7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2,(H,5,7)
InChIKeyCNCOEDDPFOAUMB-UHFFFAOYSA-N
XLogP-0.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-0.76
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

2-Propenamide, N-(methoxymethyl)-
CID 77203
cis-3-hydroxy-N-methyl crotonamide
CID 19431107
AM N-Mam
CID 20242818
N-(1-Hydroxyethyl)-2-propenamide
CID 21868074
N-(hydroxymethyl)prop-2-enamide;prop-2-enenitrile
CID 88472898
N-(hydroxymethyl)prop-2-enamide;prop-2-enoic acid
CID 88606894
2-Propenamide, N-((2-hydroxyethoxy)methyl)-
CID 187340
N-(hydroxymethyl)but-2-enamide
CID 54208176
2-fluoro-N-(hydroxymethyl)prop-2-enamide
CID 88449452
N-[hydroxy(methoxy)methyl]prop-2-enamide
CID 18690255
N-[hydroxy-(prop-2-enoylamino)methyl]prop-2-enamide
CID 18956865
N-(hydroxymethyl)prop-2-enamide;bis(propan-2-one)
CID 19784585

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)prop-2-enamide?
The IUPAC name of N-(hydroxymethyl)prop-2-enamide (CID 13543) is N-(hydroxymethyl)prop-2-enamide.
What is the SMILES notation for N-(hydroxymethyl)prop-2-enamide?
The canonical SMILES for N-(hydroxymethyl)prop-2-enamide is C=CC(=O)NCO.
What is the InChIKey of N-(hydroxymethyl)prop-2-enamide?
The InChIKey is CNCOEDDPFOAUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2,(H,5,7).
What are the key properties of N-(hydroxymethyl)prop-2-enamide?
N-(hydroxymethyl)prop-2-enamide has a molecular weight of 101.10 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)prop-2-enamide is sourced from PubChem (CID 13543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).