N-(5-hydroxypentyl)-N-methylpent-4-enamide

C11H21NO2 — CID 107202437

IUPACN-(5-hydroxypentyl)-N-methylpent-4-enamide
SMILESC=CCCC(=O)N(C)CCCCCO
InChIInChI=1S/C11H21NO2/c1-3-4-8-11(14)12(2)9-6-5-7-10-13/h3,13H,1,4-10H2,2H3
InChIKeyRAYJPEKSMCYGOG-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds8

About N-(5-hydroxypentyl)-N-methylpent-4-enamide

N-(5-hydroxypentyl)-N-methylpent-4-enamide (PubChem CID 107202437) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methylpent-4-enamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methylpent-4-enamide
PubChem CID107202437
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(5-hydroxypentyl)-N-methylpent-4-enamide
SMILESC=CCCC(=O)N(C)CCCCCO
InChIInChI=1S/C11H21NO2/c1-3-4-8-11(14)12(2)9-6-5-7-10-13/h3,13H,1,4-10H2,2H3
InChIKeyRAYJPEKSMCYGOG-UHFFFAOYSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 10679035
1-[2-(Hydroxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 14788288
N-(5-hydroxypentyl)-N-prop-2-enylbutanamide
CID 135128673
N-(5-hydroxypentyl)-2-methyl-N-prop-2-enylprop-2-enamide
CID 135140587
But-3-enoyl(1-hydroxypentyl)carbamic acid
CID 140174356
3-(2-hydroxyethyl)-N,N-dimethylpent-4-enamide
CID 56957285
1-[3-(Hydroxymethyl)piperidin-1-yl]pent-4-en-1-one
CID 62678353
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 79028921
5-hydroxy-N,N-bis(prop-2-enyl)pentanamide
CID 79198719
5-hydroxy-N-propan-2-yl-N-prop-2-enylpentanamide
CID 79199422
5-hydroxy-N-prop-2-enyl-N-propylpentanamide
CID 81818470
5-hydroxy-N-methyl-N-prop-2-enylpentanamide
CID 81818577

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methylpent-4-enamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methylpent-4-enamide (CID 107202437) is N-(5-hydroxypentyl)-N-methylpent-4-enamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methylpent-4-enamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methylpent-4-enamide is C=CCCC(=O)N(C)CCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-N-methylpent-4-enamide?
The InChIKey is RAYJPEKSMCYGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-8-11(14)12(2)9-6-5-7-10-13/h3,13H,1,4-10H2,2H3.
What are the key properties of N-(5-hydroxypentyl)-N-methylpent-4-enamide?
N-(5-hydroxypentyl)-N-methylpent-4-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methylpent-4-enamide is sourced from PubChem (CID 107202437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).