2-[(4-chlorophenyl)methylideneamino]propanoate

C10H9ClNO2- — CID 19426325

IUPAC2-[(4-chlorophenyl)methylideneamino]propanoate
SMILESCC(/N=C/c1ccc(Cl)cc1)C(=O)[O-]
InChIInChI=1S/C10H10ClNO2/c1-7(10(13)14)12-6-8-2-4-9(11)5-3-8/h2-7H,1H3,(H,13,14)/p-1/b12-6+
InChIKeyGYTWILIFEIWCIP-WUXMJOGZSA-M
MW210.64 g/mol
LogP0.90
Rot. Bonds3

About 2-[(4-chlorophenyl)methylideneamino]propanoate

2-[(4-chlorophenyl)methylideneamino]propanoate (PubChem CID 19426325) has the molecular formula C10H9ClNO2- and a molecular weight of 210.64 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylideneamino]propanoate.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylideneamino]propanoate
PubChem CID19426325
Molecular FormulaC10H9ClNO2-
Molecular Weight210.64 g/mol
Exact Mass210.03
IUPAC Name2-[(4-chlorophenyl)methylideneamino]propanoate
SMILESCC(/N=C/c1ccc(Cl)cc1)C(=O)[O-]
InChIInChI=1S/C10H10ClNO2/c1-7(10(13)14)12-6-8-2-4-9(11)5-3-8/h2-7H,1H3,(H,13,14)/p-1/b12-6+
InChIKeyGYTWILIFEIWCIP-WUXMJOGZSA-M
XLogP0.90
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.64
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-propan-2-ylmethanimine
CID 11622447
1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol
CID 67465874
methyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate
CID 86171147
2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid
CID 22236669
[(4-chlorophenyl)methylideneamino] acetate
CID 57215525
CID 10012124
CID 10012124
methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate
CID 13240768
ethyl 2-[(4-chlorophenyl)methylideneamino]-2-phenylacetate
CID 10662075
methyl (2S)-2-[(4-nitrophenyl)methylideneamino]propanoate
CID 102018768
1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea
CID 88822075
2-(4-chlorophenyl)sulfanyloxypropanoate
CID 57373569
methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylideneamino]propanoate?
The IUPAC name of 2-[(4-chlorophenyl)methylideneamino]propanoate (CID 19426325) is 2-[(4-chlorophenyl)methylideneamino]propanoate.
What is the SMILES notation for 2-[(4-chlorophenyl)methylideneamino]propanoate?
The canonical SMILES for 2-[(4-chlorophenyl)methylideneamino]propanoate is CC(/N=C/c1ccc(Cl)cc1)C(=O)[O-].
What is the InChIKey of 2-[(4-chlorophenyl)methylideneamino]propanoate?
The InChIKey is GYTWILIFEIWCIP-WUXMJOGZSA-M. The full InChI is InChI=1S/C10H10ClNO2/c1-7(10(13)14)12-6-8-2-4-9(11)5-3-8/h2-7H,1H3,(H,13,14)/p-1/b12-6+.
What are the key properties of 2-[(4-chlorophenyl)methylideneamino]propanoate?
2-[(4-chlorophenyl)methylideneamino]propanoate has a molecular weight of 210.64 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylideneamino]propanoate is sourced from PubChem (CID 19426325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).