2-(2-chloroprop-1-enoxyimino)acetic acid

C5H6ClNO3 — CID 71411487

IUPAC2-(2-chloroprop-1-enoxyimino)acetic acid
SMILESCC(Cl)=CON=CC(=O)O
InChIInChI=1S/C5H6ClNO3/c1-4(6)3-10-7-2-5(8)9/h2-3H,1H3,(H,8,9)
InChIKeyPORRRJLOVPJXOZ-UHFFFAOYSA-N
MW163.56 g/mol
LogP1.17
Rot. Bonds3

About 2-(2-chloroprop-1-enoxyimino)acetic acid

2-(2-chloroprop-1-enoxyimino)acetic acid (PubChem CID 71411487) has the molecular formula C5H6ClNO3 and a molecular weight of 163.56 g/mol. Its IUPAC name is 2-(2-chloroprop-1-enoxyimino)acetic acid.

Molecular Properties

Compound Name2-(2-chloroprop-1-enoxyimino)acetic acid
PubChem CID71411487
Molecular FormulaC5H6ClNO3
Molecular Weight163.56 g/mol
Exact Mass163.00
IUPAC Name2-(2-chloroprop-1-enoxyimino)acetic acid
SMILESCC(Cl)=CON=CC(=O)O
InChIInChI=1S/C5H6ClNO3/c1-4(6)3-10-7-2-5(8)9/h2-3H,1H3,(H,8,9)
InChIKeyPORRRJLOVPJXOZ-UHFFFAOYSA-N
XLogP1.17
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.56
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloroprop-1-enoxyimino)acetic acid
CID 71411489
2-chloro-1-(2-chloroprop-1-enoxy)prop-1-ene
CID 140516361
2-(dimethylcarbamoyloxyimino)acetic acid
CID 166865199
2-acetyliminoacetic acid
CID 131637969
(Z)-3-chlorobut-2-enoic acid;gallane
CID 173230251
acetic acid;2-methyliminoacetic acid
CID 87702194
(2E)-2-butoxyiminoacetic acid
CID 88725483
ethene;[(E)-2-oxopropylideneamino] formate
CID 144999498
CID 136818460
CID 136818460
acetic acid;chloro(trifluoro)methane
CID 88651424
acetic acid;ruthenium
CID 175502908
3-acetyloxy-3-chloroprop-2-enoic acid
CID 175140470

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroprop-1-enoxyimino)acetic acid?
The IUPAC name of 2-(2-chloroprop-1-enoxyimino)acetic acid (CID 71411487) is 2-(2-chloroprop-1-enoxyimino)acetic acid.
What is the SMILES notation for 2-(2-chloroprop-1-enoxyimino)acetic acid?
The canonical SMILES for 2-(2-chloroprop-1-enoxyimino)acetic acid is CC(Cl)=CON=CC(=O)O.
What is the InChIKey of 2-(2-chloroprop-1-enoxyimino)acetic acid?
The InChIKey is PORRRJLOVPJXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO3/c1-4(6)3-10-7-2-5(8)9/h2-3H,1H3,(H,8,9).
What are the key properties of 2-(2-chloroprop-1-enoxyimino)acetic acid?
2-(2-chloroprop-1-enoxyimino)acetic acid has a molecular weight of 163.56 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroprop-1-enoxyimino)acetic acid is sourced from PubChem (CID 71411487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).