(2S)-2-(3-hydroxypropyl)-N-methylpent-4-enamide

C9H17NO2 — CID 141002372

IUPAC(2S)-2-(3-hydroxypropyl)-N-methylpent-4-enamide
SMILESC=CCC(CCCO)C(=O)NC
InChIInChI=1S/C9H17NO2/c1-3-5-8(6-4-7-11)9(12)10-2/h3,8,11H,1,4-7H2,2H3,(H,10,12)
InChIKeyNTIQWKKDIUQIHU-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.70
Rot. Bonds6

About (2S)-2-(3-hydroxypropyl)-N-methylpent-4-enamide

(2S)-2-(3-hydroxypropyl)-N-methylpent-4-enamide (PubChem CID 141002372) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S)-2-(3-hydroxypropyl)-N-methylpent-4-enamide.

Molecular Properties

Compound Name(2S)-2-(3-hydroxypropyl)-N-methylpent-4-enamide
PubChem CID141002372
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2S)-2-(3-hydroxypropyl)-N-methylpent-4-enamide
SMILESC=CCC(CCCO)C(=O)NC
InChIInChI=1S/C9H17NO2/c1-3-5-8(6-4-7-11)9(12)10-2/h3,8,11H,1,4-7H2,2H3,(H,10,12)
InChIKeyNTIQWKKDIUQIHU-UHFFFAOYSA-N
XLogP0.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethenyl-5,6-dihydroxyhexyl)propanamide
CID 123574183
N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2-(3-hydroxypropyl)pent-4-enamide
CID 138641838
(2R)-2-(3-hydroxypropyl)-N-methylhex-4-enamide
CID 141002374
(2R)-2-(3-hydroxypropyl)-N-methylpent-4-enamide
CID 141002378
N-[(3R,5S)-3-ethenyl-5,6-dihydroxyhexyl]propanamide
CID 145541382
(2S)-2-[(2R)-4-hydroxybutan-2-yl]-N-methoxy-N-methylpent-4-enamide
CID 16087691
3-(2-hydroxyethyl)-N,N-dimethylpent-4-enamide
CID 56957285
N-(cyclohex-3-en-1-ylmethyl)-5-hydroxypentanamide
CID 79208936
N-[2-(2-hydroxyethyl)pentyl]pent-4-enamide
CID 103725744
N-(5-hydroxy-4-methylpentyl)pent-4-enamide
CID 103861440
2-cyclopent-2-en-1-yl-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861862
N-(5-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carboxamide
CID 103862352

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-hydroxypropyl)-N-methylpent-4-enamide?
The IUPAC name of (2S)-2-(3-hydroxypropyl)-N-methylpent-4-enamide (CID 141002372) is (2S)-2-(3-hydroxypropyl)-N-methylpent-4-enamide.
What is the SMILES notation for (2S)-2-(3-hydroxypropyl)-N-methylpent-4-enamide?
The canonical SMILES for (2S)-2-(3-hydroxypropyl)-N-methylpent-4-enamide is C=CCC(CCCO)C(=O)NC.
What is the InChIKey of (2S)-2-(3-hydroxypropyl)-N-methylpent-4-enamide?
The InChIKey is NTIQWKKDIUQIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-5-8(6-4-7-11)9(12)10-2/h3,8,11H,1,4-7H2,2H3,(H,10,12).
What are the key properties of (2S)-2-(3-hydroxypropyl)-N-methylpent-4-enamide?
(2S)-2-(3-hydroxypropyl)-N-methylpent-4-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-hydroxypropyl)-N-methylpent-4-enamide is sourced from PubChem (CID 141002372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).