N-(5-hydroxypentyl)-2-methylprop-2-enamide

C9H17NO2 — CID 11829900

IUPACN-(5-hydroxypentyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCO
InChIInChI=1S/C9H17NO2/c1-8(2)9(12)10-6-4-3-5-7-11/h11H,1,3-7H2,2H3,(H,10,12)
InChIKeyYXAKNAQXSTZETP-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.84
Rot. Bonds6

About N-(5-hydroxypentyl)-2-methylprop-2-enamide

N-(5-hydroxypentyl)-2-methylprop-2-enamide (PubChem CID 11829900) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-2-methylprop-2-enamide
PubChem CID11829900
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(5-hydroxypentyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCO
InChIInChI=1S/C9H17NO2/c1-8(2)9(12)10-6-4-3-5-7-11/h11H,1,3-7H2,2H3,(H,10,12)
InChIKeyYXAKNAQXSTZETP-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutyl)-2-methyl-2-propenamide
CID 18967950
N-(6-hydroxyhexyl)-2-methyl-2-propenamide
CID 59661774
N-(5-hydroxypentyl)prop-2-enamide
CID 13877304
(E)-N-(5-hydroxypentyl)but-2-enamide
CID 13877305
N-(3-hydroxypentyl)-2-methylprop-2-enamide
CID 17809092
N-(1-hydroxypentan-2-yl)-2-methylprop-2-enamide
CID 20469412
N-(1-hydroxybutyl)-2-methylprop-2-enamide
CID 22660425
N-(5-hydroxy-3-oxopentyl)-2-methylprop-2-enamide
CID 22712621
N-(13-hydroxytridecyl)-2-methylprop-2-enamide
CID 53643979
N-(12-hydroxydodecyl)-2-methylprop-2-enamide
CID 53721728
N-(24-hydroxytetracosyl)-2-methylprop-2-enamide
CID 53952645
N-(18-hydroxyoctadecyl)-2-methylprop-2-enamide
CID 54486699

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-2-methylprop-2-enamide?
The IUPAC name of N-(5-hydroxypentyl)-2-methylprop-2-enamide (CID 11829900) is N-(5-hydroxypentyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(5-hydroxypentyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(5-hydroxypentyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-2-methylprop-2-enamide?
The InChIKey is YXAKNAQXSTZETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)9(12)10-6-4-3-5-7-11/h11H,1,3-7H2,2H3,(H,10,12).
What are the key properties of N-(5-hydroxypentyl)-2-methylprop-2-enamide?
N-(5-hydroxypentyl)-2-methylprop-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-2-methylprop-2-enamide is sourced from PubChem (CID 11829900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).