N-(1-hydroxybutyl)-2-methylprop-2-enamide

C8H15NO2 — CID 22660425

IUPACN-(1-hydroxybutyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(O)CCC
InChIInChI=1S/C8H15NO2/c1-4-5-7(10)9-8(11)6(2)3/h7,10H,2,4-5H2,1,3H3,(H,9,11)
InChIKeyIPQHDVKGYKJZPH-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.80
Rot. Bonds4

About N-(1-hydroxybutyl)-2-methylprop-2-enamide

N-(1-hydroxybutyl)-2-methylprop-2-enamide (PubChem CID 22660425) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(1-hydroxybutyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxybutyl)-2-methylprop-2-enamide
PubChem CID22660425
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(1-hydroxybutyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(O)CCC
InChIInChI=1S/C8H15NO2/c1-4-5-7(10)9-8(11)6(2)3/h7,10H,2,4-5H2,1,3H3,(H,9,11)
InChIKeyIPQHDVKGYKJZPH-UHFFFAOYSA-N
XLogP0.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutyl)-2-methylprop-2-enamide?
The IUPAC name of N-(1-hydroxybutyl)-2-methylprop-2-enamide (CID 22660425) is N-(1-hydroxybutyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(1-hydroxybutyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(1-hydroxybutyl)-2-methylprop-2-enamide is C=C(C)C(=O)NC(O)CCC.
What is the InChIKey of N-(1-hydroxybutyl)-2-methylprop-2-enamide?
The InChIKey is IPQHDVKGYKJZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5-7(10)9-8(11)6(2)3/h7,10H,2,4-5H2,1,3H3,(H,9,11).
What are the key properties of N-(1-hydroxybutyl)-2-methylprop-2-enamide?
N-(1-hydroxybutyl)-2-methylprop-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutyl)-2-methylprop-2-enamide is sourced from PubChem (CID 22660425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).