2-[methyl(prop-2-enyl)hydrazinylidene]propanoic acid

C7H12N2O2 — CID 54142934

IUPAC2-[methyl(prop-2-enyl)hydrazinylidene]propanoic acid
SMILESC=CCN(C)N=C(C)C(=O)O
InChIInChI=1S/C7H12N2O2/c1-4-5-9(3)8-6(2)7(10)11/h4H,1,5H2,2-3H3,(H,10,11)
InChIKeyOCIPOJKVNLTIIF-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.56
Rot. Bonds4

About 2-[methyl(prop-2-enyl)hydrazinylidene]propanoic acid

2-[methyl(prop-2-enyl)hydrazinylidene]propanoic acid (PubChem CID 54142934) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-[methyl(prop-2-enyl)hydrazinylidene]propanoic acid.

Molecular Properties

Compound Name2-[methyl(prop-2-enyl)hydrazinylidene]propanoic acid
PubChem CID54142934
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2-[methyl(prop-2-enyl)hydrazinylidene]propanoic acid
SMILESC=CCN(C)N=C(C)C(=O)O
InChIInChI=1S/C7H12N2O2/c1-4-5-9(3)8-6(2)7(10)11/h4H,1,5H2,2-3H3,(H,10,11)
InChIKeyOCIPOJKVNLTIIF-UHFFFAOYSA-N
XLogP0.56
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.56
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 71699730
N-methyl-N-[(E)-[methyl(prop-2-enyl)amino]diazenyl]prop-2-en-1-amine
CID 146437281
butane-2,3-dione;N,N-dimethylprop-2-en-1-amine;hydrochloride
CID 174374169
2-prop-2-enoxyiminopropanoic acid
CID 54318593
N,N'-dimethyl-N,N'-bis(prop-2-enyl)oxamide
CID 71483404
4-[bis(prop-2-enyl)amino]-2-methylbut-2-enoic acid
CID 77074022
chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid
CID 22495089
N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
(Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid
CID 21432845
methyl N-methyl-N-prop-2-enylcarbamate
CID 116657055
N,N-dimethylmethanamine;prop-2-enoic acid
CID 87439346
carbonic acid;N,N-dihydroxyprop-2-en-1-amine
CID 129188900

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(prop-2-enyl)hydrazinylidene]propanoic acid?
The IUPAC name of 2-[methyl(prop-2-enyl)hydrazinylidene]propanoic acid (CID 54142934) is 2-[methyl(prop-2-enyl)hydrazinylidene]propanoic acid.
What is the SMILES notation for 2-[methyl(prop-2-enyl)hydrazinylidene]propanoic acid?
The canonical SMILES for 2-[methyl(prop-2-enyl)hydrazinylidene]propanoic acid is C=CCN(C)N=C(C)C(=O)O.
What is the InChIKey of 2-[methyl(prop-2-enyl)hydrazinylidene]propanoic acid?
The InChIKey is OCIPOJKVNLTIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4-5-9(3)8-6(2)7(10)11/h4H,1,5H2,2-3H3,(H,10,11).
What are the key properties of 2-[methyl(prop-2-enyl)hydrazinylidene]propanoic acid?
2-[methyl(prop-2-enyl)hydrazinylidene]propanoic acid has a molecular weight of 156.18 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(prop-2-enyl)hydrazinylidene]propanoic acid is sourced from PubChem (CID 54142934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).