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

C9H17NO2 — CID 87123588

IUPACN-(2-hydroxypentyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(O)CCC
InChIInChI=1S/C9H17NO2/c1-4-5-8(11)6-10-9(12)7(2)3/h8,11H,2,4-6H2,1,3H3,(H,10,12)
InChIKeyNDYWCECNBRGVGA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.84
Rot. Bonds5

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

N-(2-hydroxypentyl)-2-methylprop-2-enamide (PubChem CID 87123588) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(2-hydroxypentyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxypentyl)-2-methylprop-2-enamide
PubChem CID87123588
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(2-hydroxypentyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(O)CCC
InChIInChI=1S/C9H17NO2/c1-4-5-8(11)6-10-9(12)7(2)3/h8,11H,2,4-6H2,1,3H3,(H,10,12)
InChIKeyNDYWCECNBRGVGA-UHFFFAOYSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypentyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2-hydroxypentyl)-2-methylprop-2-enamide (CID 87123588) is N-(2-hydroxypentyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2-hydroxypentyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2-hydroxypentyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCC(O)CCC.
What is the InChIKey of N-(2-hydroxypentyl)-2-methylprop-2-enamide?
The InChIKey is NDYWCECNBRGVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-5-8(11)6-10-9(12)7(2)3/h8,11H,2,4-6H2,1,3H3,(H,10,12).
What are the key properties of N-(2-hydroxypentyl)-2-methylprop-2-enamide?
N-(2-hydroxypentyl)-2-methylprop-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypentyl)-2-methylprop-2-enamide is sourced from PubChem (CID 87123588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).