N-(hydroxymethyl)-N-propylprop-2-enamide

C7H13NO2 — CID 19006732

IUPACN-(hydroxymethyl)-N-propylprop-2-enamide
SMILESC=CC(=O)N(CO)CCC
InChIInChI=1S/C7H13NO2/c1-3-5-8(6-9)7(10)4-2/h4,9H,2-3,5-6H2,1H3
InChIKeyCKVITFKZQCDXOW-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.36
Rot. Bonds4

About N-(hydroxymethyl)-N-propylprop-2-enamide

N-(hydroxymethyl)-N-propylprop-2-enamide (PubChem CID 19006732) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(hydroxymethyl)-N-propylprop-2-enamide.

Molecular Properties

Compound NameN-(hydroxymethyl)-N-propylprop-2-enamide
PubChem CID19006732
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-(hydroxymethyl)-N-propylprop-2-enamide
SMILESC=CC(=O)N(CO)CCC
InChIInChI=1S/C7H13NO2/c1-3-5-8(6-9)7(10)4-2/h4,9H,2-3,5-6H2,1H3
InChIKeyCKVITFKZQCDXOW-UHFFFAOYSA-N
XLogP0.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
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,N-Diethylacrylamide
CID 17583
N-(2-hydroxyethyl)-N-methylprop-2-enamide
CID 10129965
2-Propenamide, N,N-bis(2-hydroxyethyl)-
CID 11116327
N-ethyl-N-methylprop-2-enamide
CID 10441673
N,N-Bis(hydroxymethyl)prop-2-enamide
CID 13710294
N-Methyl-N-propyl-2-propenamide
CID 14204073
N-ethyl propyl acrylamide
CID 20027843
N-2-hydroxyethyl-N-methylcrotonamide
CID 60747686
N-(hydroxymethyl)-N-methylprop-2-enamide
CID 18314837
N-ethyl-N-(hydroxymethyl)prop-2-enamide
CID 18366429
N-(hydroxymethyl)-N-(2-methylpropyl)prop-2-enamide
CID 18520794
N-(2-hydroxyethyl)-N-(hydroxymethyl)prop-2-enamide
CID 18792569

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-N-propylprop-2-enamide?
The IUPAC name of N-(hydroxymethyl)-N-propylprop-2-enamide (CID 19006732) is N-(hydroxymethyl)-N-propylprop-2-enamide.
What is the SMILES notation for N-(hydroxymethyl)-N-propylprop-2-enamide?
The canonical SMILES for N-(hydroxymethyl)-N-propylprop-2-enamide is C=CC(=O)N(CO)CCC.
What is the InChIKey of N-(hydroxymethyl)-N-propylprop-2-enamide?
The InChIKey is CKVITFKZQCDXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-5-8(6-9)7(10)4-2/h4,9H,2-3,5-6H2,1H3.
What are the key properties of N-(hydroxymethyl)-N-propylprop-2-enamide?
N-(hydroxymethyl)-N-propylprop-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)-N-propylprop-2-enamide is sourced from PubChem (CID 19006732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).