N-(2-hydroxy-2-methylpropyl)prop-2-enamide

C7H13NO2 — CID 65105168

IUPACN-(2-hydroxy-2-methylpropyl)prop-2-enamide
SMILESC=CC(=O)NCC(C)(C)O
InChIInChI=1S/C7H13NO2/c1-4-6(9)8-5-7(2,3)10/h4,10H,1,5H2,2-3H3,(H,8,9)
InChIKeyQIAUSBQUCQLSJA-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.06
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)prop-2-enamide

N-(2-hydroxy-2-methylpropyl)prop-2-enamide (PubChem CID 65105168) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)prop-2-enamide
PubChem CID65105168
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-(2-hydroxy-2-methylpropyl)prop-2-enamide
SMILESC=CC(=O)NCC(C)(C)O
InChIInChI=1S/C7H13NO2/c1-4-6(9)8-5-7(2,3)10/h4,10H,1,5H2,2-3H3,(H,8,9)
InChIKeyQIAUSBQUCQLSJA-UHFFFAOYSA-N
XLogP0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.06
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-hydroxy-2-methylpropyl)prop-2-enamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)prop-2-enamide (CID 65105168) is N-(2-hydroxy-2-methylpropyl)prop-2-enamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)prop-2-enamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)prop-2-enamide is C=CC(=O)NCC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)prop-2-enamide?
The InChIKey is QIAUSBQUCQLSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-6(9)8-5-7(2,3)10/h4,10H,1,5H2,2-3H3,(H,8,9).
What are the key properties of N-(2-hydroxy-2-methylpropyl)prop-2-enamide?
N-(2-hydroxy-2-methylpropyl)prop-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 65105168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).