N-(3-hydroxybutyl)-2-methylpent-2-enamide

C10H19NO2 — CID 77042502

IUPACN-(3-hydroxybutyl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCCC(C)O
InChIInChI=1S/C10H19NO2/c1-4-5-8(2)10(13)11-7-6-9(3)12/h5,9,12H,4,6-7H2,1-3H3,(H,11,13)
InChIKeyBTFATMRNXDYZNL-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.23
Rot. Bonds5

About N-(3-hydroxybutyl)-2-methylpent-2-enamide

N-(3-hydroxybutyl)-2-methylpent-2-enamide (PubChem CID 77042502) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-2-methylpent-2-enamide
PubChem CID77042502
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(3-hydroxybutyl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCCC(C)O
InChIInChI=1S/C10H19NO2/c1-4-5-8(2)10(13)11-7-6-9(3)12/h5,9,12H,4,6-7H2,1-3H3,(H,11,13)
InChIKeyBTFATMRNXDYZNL-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.23
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-(3-hydroxybutyl)-2-methylpent-2-enamide?
The IUPAC name of N-(3-hydroxybutyl)-2-methylpent-2-enamide (CID 77042502) is N-(3-hydroxybutyl)-2-methylpent-2-enamide.
What is the SMILES notation for N-(3-hydroxybutyl)-2-methylpent-2-enamide?
The canonical SMILES for N-(3-hydroxybutyl)-2-methylpent-2-enamide is CCC=C(C)C(=O)NCCC(C)O.
What is the InChIKey of N-(3-hydroxybutyl)-2-methylpent-2-enamide?
The InChIKey is BTFATMRNXDYZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-5-8(2)10(13)11-7-6-9(3)12/h5,9,12H,4,6-7H2,1-3H3,(H,11,13).
What are the key properties of N-(3-hydroxybutyl)-2-methylpent-2-enamide?
N-(3-hydroxybutyl)-2-methylpent-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-2-methylpent-2-enamide is sourced from PubChem (CID 77042502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).