(Z)-2-hydroxy-N-prop-2-enylbut-2-enamide

C7H11NO2 — CID 87714172

IUPAC(Z)-2-hydroxy-N-prop-2-enylbut-2-enamide
SMILESC=CCNC(=O)/C(O)=C/C
InChIInChI=1S/C7H11NO2/c1-3-5-8-7(10)6(9)4-2/h3-4,9H,1,5H2,2H3,(H,8,10)/b6-4-
InChIKeyWKZZNLQTNRBJCR-XQRVVYSFSA-N
MW141.17 g/mol
LogP0.75
Rot. Bonds3

About (Z)-2-hydroxy-N-prop-2-enylbut-2-enamide

(Z)-2-hydroxy-N-prop-2-enylbut-2-enamide (PubChem CID 87714172) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (Z)-2-hydroxy-N-prop-2-enylbut-2-enamide.

Molecular Properties

Compound Name(Z)-2-hydroxy-N-prop-2-enylbut-2-enamide
PubChem CID87714172
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(Z)-2-hydroxy-N-prop-2-enylbut-2-enamide
SMILESC=CCNC(=O)/C(O)=C/C
InChIInChI=1S/C7H11NO2/c1-3-5-8-7(10)6(9)4-2/h3-4,9H,1,5H2,2H3,(H,8,10)/b6-4-
InChIKeyWKZZNLQTNRBJCR-XQRVVYSFSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
CID 173399852
methanethiol;prop-2-enylcarbamic acid
CID 175464551
prop-2-enylcarbamic acid;hydrate
CID 173458484
3-(methylamino)-2-oxo-N-prop-2-enylpropanamide
CID 143353566
3-oxo-3-(prop-2-enylamino)prop-1-ene-2-sulfonic acid
CID 87500396
2-methyl-N-prop-2-enylhexa-2,5-dienamide
CID 174329237
ethane;N-prop-2-enylprop-2-enamide
CID 142535548
(E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide
CID 175865307
(Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide
CID 3033129
N-(3-hydroxypropyl)-N'-prop-2-enyloxamide
CID 3099196
2-[bis(prop-2-enyl)amino]-N-prop-2-enylprop-2-enamide
CID 87504024
(2E,4E)-N-prop-2-enylhexa-2,4-dienamide
CID 12943287

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-N-prop-2-enylbut-2-enamide?
The IUPAC name of (Z)-2-hydroxy-N-prop-2-enylbut-2-enamide (CID 87714172) is (Z)-2-hydroxy-N-prop-2-enylbut-2-enamide.
What is the SMILES notation for (Z)-2-hydroxy-N-prop-2-enylbut-2-enamide?
The canonical SMILES for (Z)-2-hydroxy-N-prop-2-enylbut-2-enamide is C=CCNC(=O)/C(O)=C/C.
What is the InChIKey of (Z)-2-hydroxy-N-prop-2-enylbut-2-enamide?
The InChIKey is WKZZNLQTNRBJCR-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-5-8-7(10)6(9)4-2/h3-4,9H,1,5H2,2H3,(H,8,10)/b6-4-.
What are the key properties of (Z)-2-hydroxy-N-prop-2-enylbut-2-enamide?
(Z)-2-hydroxy-N-prop-2-enylbut-2-enamide has a molecular weight of 141.17 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-N-prop-2-enylbut-2-enamide is sourced from PubChem (CID 87714172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).