3-(2-hydroxyethyl)-N,N-dimethylpent-4-enamide

C9H17NO2 — CID 56957285

IUPAC3-(2-hydroxyethyl)-N,N-dimethylpent-4-enamide
SMILESC=CC(CCO)CC(=O)N(C)C
InChIInChI=1S/C9H17NO2/c1-4-8(5-6-11)7-9(12)10(2)3/h4,8,11H,1,5-7H2,2-3H3
InChIKeyCULGKAGXJPRQTF-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.65
Rot. Bonds5

About 3-(2-hydroxyethyl)-N,N-dimethylpent-4-enamide

3-(2-hydroxyethyl)-N,N-dimethylpent-4-enamide (PubChem CID 56957285) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-N,N-dimethylpent-4-enamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-N,N-dimethylpent-4-enamide
PubChem CID56957285
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(2-hydroxyethyl)-N,N-dimethylpent-4-enamide
SMILESC=CC(CCO)CC(=O)N(C)C
InChIInChI=1S/C9H17NO2/c1-4-8(5-6-11)7-9(12)10(2)3/h4,8,11H,1,5-7H2,2-3H3
InChIKeyCULGKAGXJPRQTF-UHFFFAOYSA-N
XLogP0.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,5S)-5-hydroxy-N,N,3-trimethyloct-7-enamide
CID 11412975
(E,4S)-9-hydroxy-4,8-bis(hydroxymethyl)-N,N,4-trimethylnon-5-enamide
CID 11129475
9-hydroxy-N,N,8-trimethyldec-5-enamide
CID 91111661
(2S)-2-(3-hydroxypropyl)-N-methylpent-4-enamide
CID 141002372
(2R)-2-(3-hydroxypropyl)-N-methylpent-4-enamide
CID 141002378
(2R,3R,4R)-3-(2-hydroxyethyl)-N-methoxy-N,2,4-trimethylhex-5-enamide
CID 11817060
(2S)-2-[(2R)-4-hydroxybutan-2-yl]-N-methoxy-N-methylpent-4-enamide
CID 16087691
3-(2-Hydroxyethyl)-1-pyrrolidin-1-ylpent-4-en-1-one
CID 56957287
N-(5-hydroxypentyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 107202209
N-(5-hydroxypentyl)-N-methylcyclopent-3-ene-1-carboxamide
CID 107202259
N-(5-hydroxypentyl)-N-methylpent-4-enamide
CID 107202437
5-hydroxy-N-methyl-N-pent-4-enylpentanamide
CID 116304001

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-N,N-dimethylpent-4-enamide?
The IUPAC name of 3-(2-hydroxyethyl)-N,N-dimethylpent-4-enamide (CID 56957285) is 3-(2-hydroxyethyl)-N,N-dimethylpent-4-enamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-N,N-dimethylpent-4-enamide?
The canonical SMILES for 3-(2-hydroxyethyl)-N,N-dimethylpent-4-enamide is C=CC(CCO)CC(=O)N(C)C.
What is the InChIKey of 3-(2-hydroxyethyl)-N,N-dimethylpent-4-enamide?
The InChIKey is CULGKAGXJPRQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-8(5-6-11)7-9(12)10(2)3/h4,8,11H,1,5-7H2,2-3H3.
What are the key properties of 3-(2-hydroxyethyl)-N,N-dimethylpent-4-enamide?
3-(2-hydroxyethyl)-N,N-dimethylpent-4-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-N,N-dimethylpent-4-enamide is sourced from PubChem (CID 56957285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).