(2R)-2-(3-hydroxypropyl)-N-methylhex-4-enamide

C10H19NO2 — CID 141002374

IUPAC(2R)-2-(3-hydroxypropyl)-N-methylhex-4-enamide
SMILESCC=CCC(CCCO)C(=O)NC
InChIInChI=1S/C10H19NO2/c1-3-4-6-9(7-5-8-12)10(13)11-2/h3-4,9,12H,5-8H2,1-2H3,(H,11,13)
InChIKeyQJAJTXKUVXGGLJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds6

About (2R)-2-(3-hydroxypropyl)-N-methylhex-4-enamide

(2R)-2-(3-hydroxypropyl)-N-methylhex-4-enamide (PubChem CID 141002374) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2R)-2-(3-hydroxypropyl)-N-methylhex-4-enamide.

Molecular Properties

Compound Name(2R)-2-(3-hydroxypropyl)-N-methylhex-4-enamide
PubChem CID141002374
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2R)-2-(3-hydroxypropyl)-N-methylhex-4-enamide
SMILESCC=CCC(CCCO)C(=O)NC
InChIInChI=1S/C10H19NO2/c1-3-4-6-9(7-5-8-12)10(13)11-2/h3-4,9,12H,5-8H2,1-2H3,(H,11,13)
InChIKeyQJAJTXKUVXGGLJ-UHFFFAOYSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.09
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

2-(5-hydroxycyclohex-3-en-1-yl)-N-methylacetamide
CID 15686614
(E,3S,4R)-3-hydroxy-N,4-dimethyloct-6-enamide
CID 118889729
(2S)-2-(3-hydroxypropyl)-N-methylpent-4-enamide
CID 141002372
(2R)-2-(3-hydroxypropyl)-N-methylpent-4-enamide
CID 141002378
cyclopentylmethanol;(Z)-N-ethylhept-5-enamide
CID 144463787
1-(2-hydroxyethyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 153977705
N-(4-hydroxy-2-methylbutyl)cyclohex-3-ene-1-carboxamide
CID 66106687
2-cyclopent-2-en-1-yl-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66106700
N-(cyclohex-3-en-1-ylmethyl)-5-hydroxypentanamide
CID 79208936
N-(5-hydroxypentan-2-yl)cyclohex-3-ene-1-carboxamide
CID 80291128
2-cyclopent-2-en-1-yl-N-(2-ethyl-4-hydroxybutyl)acetamide
CID 80308257
N-(2-ethyl-4-hydroxybutyl)cyclohex-3-ene-1-carboxamide
CID 80308680

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-hydroxypropyl)-N-methylhex-4-enamide?
The IUPAC name of (2R)-2-(3-hydroxypropyl)-N-methylhex-4-enamide (CID 141002374) is (2R)-2-(3-hydroxypropyl)-N-methylhex-4-enamide.
What is the SMILES notation for (2R)-2-(3-hydroxypropyl)-N-methylhex-4-enamide?
The canonical SMILES for (2R)-2-(3-hydroxypropyl)-N-methylhex-4-enamide is CC=CCC(CCCO)C(=O)NC.
What is the InChIKey of (2R)-2-(3-hydroxypropyl)-N-methylhex-4-enamide?
The InChIKey is QJAJTXKUVXGGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-6-9(7-5-8-12)10(13)11-2/h3-4,9,12H,5-8H2,1-2H3,(H,11,13).
What are the key properties of (2R)-2-(3-hydroxypropyl)-N-methylhex-4-enamide?
(2R)-2-(3-hydroxypropyl)-N-methylhex-4-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-hydroxypropyl)-N-methylhex-4-enamide is sourced from PubChem (CID 141002374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).