N-(2-hydroxypropyl)-2,3-dimethylbut-2-enamide

C9H17NO2 — CID 123663796

IUPACN-(2-hydroxypropyl)-2,3-dimethylbut-2-enamide
SMILESCC(C)=C(C)C(=O)NCC(C)O
InChIInChI=1S/C9H17NO2/c1-6(2)8(4)9(12)10-5-7(3)11/h7,11H,5H2,1-4H3,(H,10,12)
InChIKeyZKRBQHKZUSYZRG-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.84
Rot. Bonds3

About N-(2-hydroxypropyl)-2,3-dimethylbut-2-enamide

N-(2-hydroxypropyl)-2,3-dimethylbut-2-enamide (PubChem CID 123663796) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2,3-dimethylbut-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2,3-dimethylbut-2-enamide
PubChem CID123663796
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(2-hydroxypropyl)-2,3-dimethylbut-2-enamide
SMILESCC(C)=C(C)C(=O)NCC(C)O
InChIInChI=1S/C9H17NO2/c1-6(2)8(4)9(12)10-5-7(3)11/h7,11H,5H2,1-4H3,(H,10,12)
InChIKeyZKRBQHKZUSYZRG-UHFFFAOYSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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'}

Analyze N-(2-hydroxypropyl)-2,3-dimethylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxypropyl)methacrylamide
CID 38622
N,N'-(2-hydroxypropane-1,3-diyl)bis(2-methylprop-2-enamide)
CID 20205156
2-Hydroxy-N1,N1,N1,N3,N3-pentamethyl-N3-{3-[(2-methylacryloyl)amino]propyl}propane-1,3-bis(aminium)
CID 13177837
3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide
CID 103730652
N-(3,3-difluoro-2-hydroxypropyl)-3-methylbut-2-enamide
CID 103769956
2-(azetidin-3-ylidene)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 105646004
2-(azetidin-3-ylidene)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 105646290
2-fluoro-N-(2-hydroxy-3-methylbutyl)-3-methylbut-2-enamide
CID 112361892
2-fluoro-N-(2-hydroxy-3-methoxypropyl)-3-methylbut-2-enamide
CID 112371708
2-fluoro-N-(2-hydroxypropyl)-3-methylbut-2-enamide
CID 131175885
[2-Hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride
CID 10214552
[2-Hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium
CID 10214553

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2,3-dimethylbut-2-enamide?
The IUPAC name of N-(2-hydroxypropyl)-2,3-dimethylbut-2-enamide (CID 123663796) is N-(2-hydroxypropyl)-2,3-dimethylbut-2-enamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2,3-dimethylbut-2-enamide?
The canonical SMILES for N-(2-hydroxypropyl)-2,3-dimethylbut-2-enamide is CC(C)=C(C)C(=O)NCC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)-2,3-dimethylbut-2-enamide?
The InChIKey is ZKRBQHKZUSYZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)8(4)9(12)10-5-7(3)11/h7,11H,5H2,1-4H3,(H,10,12).
What are the key properties of N-(2-hydroxypropyl)-2,3-dimethylbut-2-enamide?
N-(2-hydroxypropyl)-2,3-dimethylbut-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2,3-dimethylbut-2-enamide is sourced from PubChem (CID 123663796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).