N-(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide

C7H11NO2 — CID 87059541

IUPACN-(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide
SMILESC=CC(O)NC(=O)C(=C)C
InChIInChI=1S/C7H11NO2/c1-4-6(9)8-7(10)5(2)3/h4,6,9H,1-2H2,3H3,(H,8,10)
InChIKeyCIXQWAYKIRDVHV-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.18
Rot. Bonds3

About N-(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide

N-(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide (PubChem CID 87059541) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide
PubChem CID87059541
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide
SMILESC=CC(O)NC(=O)C(=C)C
InChIInChI=1S/C7H11NO2/c1-4-6(9)8-7(10)5(2)3/h4,6,9H,1-2H2,3H3,(H,8,10)
InChIKeyCIXQWAYKIRDVHV-UHFFFAOYSA-N
XLogP0.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.18
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-Hydroxyethyl)methacrylamide
CID 10197699
5-Hydroxy-3-methyl-3-pyrrolin-2-one
CID 5318696
Jatropham
CID 3080808
N-(3-Hydroxypropyl)-2-methylprop-2-enamide
CID 9793811
N-(1,3-dihydroxypropyl) methacrylamide
CID 18783191
N-(1-Hydroxyethyl)-2-propenamide
CID 21868074
Acryloylaminopropanol
CID 22015253
(2S)-2-hydroxy-4-methyl-1,2-dihydropyrrol-5-one
CID 5325835
N-(1-hydroxy-2,2-dimethylpropyl)prop-2-enamide
CID 17809089
N-(1-hydroxyethyl)-2-methylprop-2-enamide
CID 21868076
N-(1-hydroxypropyl)-2-methylprop-2-enamide
CID 21972037
N-(1-hydroxybutyl)-2-methylprop-2-enamide
CID 22660425

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide?
The IUPAC name of N-(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide (CID 87059541) is N-(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide is C=CC(O)NC(=O)C(=C)C.
What is the InChIKey of N-(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide?
The InChIKey is CIXQWAYKIRDVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-6(9)8-7(10)5(2)3/h4,6,9H,1-2H2,3H3,(H,8,10).
What are the key properties of N-(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide?
N-(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide has a molecular weight of 141.17 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide is sourced from PubChem (CID 87059541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).