(2Z)-2-hydroxyimino-N-methyl-N-prop-2-enylpropanamide

C7H12N2O2 — CID 11105595

IUPAC(2Z)-2-hydroxyimino-N-methyl-N-prop-2-enylpropanamide
SMILESC=CCN(C)C(=O)/C(C)=N\O
InChIInChI=1S/C7H12N2O2/c1-4-5-9(3)7(10)6(2)8-11/h4,11H,1,5H2,2-3H3/b8-6-
InChIKeyIHQSPXCZRWIPTN-VURMDHGXSA-N
MW156.18 g/mol
LogP0.48
Rot. Bonds3

About (2Z)-2-hydroxyimino-N-methyl-N-prop-2-enylpropanamide

(2Z)-2-hydroxyimino-N-methyl-N-prop-2-enylpropanamide (PubChem CID 11105595) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-N-methyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-N-methyl-N-prop-2-enylpropanamide
PubChem CID11105595
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name(2Z)-2-hydroxyimino-N-methyl-N-prop-2-enylpropanamide
SMILESC=CCN(C)C(=O)/C(C)=N\O
InChIInChI=1S/C7H12N2O2/c1-4-5-9(3)7(10)6(2)8-11/h4,11H,1,5H2,2-3H3/b8-6-
InChIKeyIHQSPXCZRWIPTN-VURMDHGXSA-N
XLogP0.48
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-N-methyl-N-prop-2-enylpropanamide?
The IUPAC name of (2Z)-2-hydroxyimino-N-methyl-N-prop-2-enylpropanamide (CID 11105595) is (2Z)-2-hydroxyimino-N-methyl-N-prop-2-enylpropanamide.
What is the SMILES notation for (2Z)-2-hydroxyimino-N-methyl-N-prop-2-enylpropanamide?
The canonical SMILES for (2Z)-2-hydroxyimino-N-methyl-N-prop-2-enylpropanamide is C=CCN(C)C(=O)/C(C)=N\O.
What is the InChIKey of (2Z)-2-hydroxyimino-N-methyl-N-prop-2-enylpropanamide?
The InChIKey is IHQSPXCZRWIPTN-VURMDHGXSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4-5-9(3)7(10)6(2)8-11/h4,11H,1,5H2,2-3H3/b8-6-.
What are the key properties of (2Z)-2-hydroxyimino-N-methyl-N-prop-2-enylpropanamide?
(2Z)-2-hydroxyimino-N-methyl-N-prop-2-enylpropanamide has a molecular weight of 156.18 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-N-methyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 11105595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).