2-(hydroxymethyl)-N,3-dimethyl-N-propylbut-2-enamide

C10H19NO2 — CID 135192575

IUPAC2-(hydroxymethyl)-N,3-dimethyl-N-propylbut-2-enamide
SMILESCCCN(C)C(=O)C(CO)=C(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-11(4)10(13)9(7-12)8(2)3/h12H,5-7H2,1-4H3
InChIKeyIHYWOMHKPXTDNN-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.18
Rot. Bonds4

About 2-(hydroxymethyl)-N,3-dimethyl-N-propylbut-2-enamide

2-(hydroxymethyl)-N,3-dimethyl-N-propylbut-2-enamide (PubChem CID 135192575) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N,3-dimethyl-N-propylbut-2-enamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N,3-dimethyl-N-propylbut-2-enamide
PubChem CID135192575
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(hydroxymethyl)-N,3-dimethyl-N-propylbut-2-enamide
SMILESCCCN(C)C(=O)C(CO)=C(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-11(4)10(13)9(7-12)8(2)3/h12H,5-7H2,1-4H3
InChIKeyIHYWOMHKPXTDNN-UHFFFAOYSA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-methyl-2-oxopropanamide;ethane
CID 142836775
azane;(E)-N,2,3-trimethyl-N-propylnonadec-2-enamide;hydrobromide
CID 173358053
1,3-dimethyl-1-(2-methylprop-1-enyl)-3-propylurea
CID 123232495
1-cyano-N-methyl-N-propylformamide
CID 115171945
(2R)-2-hydroxy-N-methyl-N-propylpropanamide
CID 130891820
2-[butyl(methyl)amino]-2-oxoacetic acid
CID 28710534
(3E)-N,4-dimethyl-2-methylidene-5-oxo-N-propylhepta-3,6-dienamide;ethane
CID 145235865
acetic acid;azane;N,N-dimethylpropan-1-amine
CID 89442730
N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569016
N,2-dimethyl-N-propylbutanamide
CID 89368936
2-[methyl(propyl)amino]prop-2-enyl acetate
CID 163468141

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N,3-dimethyl-N-propylbut-2-enamide?
The IUPAC name of 2-(hydroxymethyl)-N,3-dimethyl-N-propylbut-2-enamide (CID 135192575) is 2-(hydroxymethyl)-N,3-dimethyl-N-propylbut-2-enamide.
What is the SMILES notation for 2-(hydroxymethyl)-N,3-dimethyl-N-propylbut-2-enamide?
The canonical SMILES for 2-(hydroxymethyl)-N,3-dimethyl-N-propylbut-2-enamide is CCCN(C)C(=O)C(CO)=C(C)C.
What is the InChIKey of 2-(hydroxymethyl)-N,3-dimethyl-N-propylbut-2-enamide?
The InChIKey is IHYWOMHKPXTDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-6-11(4)10(13)9(7-12)8(2)3/h12H,5-7H2,1-4H3.
What are the key properties of 2-(hydroxymethyl)-N,3-dimethyl-N-propylbut-2-enamide?
2-(hydroxymethyl)-N,3-dimethyl-N-propylbut-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N,3-dimethyl-N-propylbut-2-enamide is sourced from PubChem (CID 135192575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).