2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoic acid

C6H12N2O2 — CID 103261007

IUPAC2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoic acid
SMILESC=C(CNN(C)C)C(=O)O
InChIInChI=1S/C6H12N2O2/c1-5(6(9)10)4-7-8(2)3/h7H,1,4H2,2-3H3,(H,9,10)
InChIKeyXFIHTEHQJWYCQL-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.31
Rot. Bonds4

About 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoic acid

2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoic acid (PubChem CID 103261007) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoic acid
PubChem CID103261007
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoic acid
SMILESC=C(CNN(C)C)C(=O)O
InChIInChI=1S/C6H12N2O2/c1-5(6(9)10)4-7-8(2)3/h7H,1,4H2,2-3H3,(H,9,10)
InChIKeyXFIHTEHQJWYCQL-UHFFFAOYSA-N
XLogP-0.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_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 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoic acid (CID 103261007) is 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoic acid is C=C(CNN(C)C)C(=O)O.
What is the InChIKey of 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoic acid?
The InChIKey is XFIHTEHQJWYCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-5(6(9)10)4-7-8(2)3/h7H,1,4H2,2-3H3,(H,9,10).
What are the key properties of 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoic acid?
2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoic acid has a molecular weight of 144.17 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoic acid is sourced from PubChem (CID 103261007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).