CID 155933396

C14H14CoO2- — CID 155933396

IUPAC—
SMILES[CH-]c1ccccc1/C=C(\CC=C)C(=O)OC.[Co]
InChIInChI=1S/C14H14O2.Co/c1-4-7-13(14(15)16-3)10-12-9-6-5-8-11(12)2;/h2,4-6,8-10H,1,7H2,3H3;/q-1;/b13-10+;
InChIKeyJJXCSUOGTFXTCO-RSGUCCNWSA-N
MW273.20 g/mol
LogP2.88
Rot. Bonds4

About CID 155933396

CID 155933396 (PubChem CID 155933396) has the molecular formula C14H14CoO2- and a molecular weight of 273.20 g/mol.

Molecular Properties

Compound NameCID 155933396
PubChem CID155933396
Molecular FormulaC14H14CoO2-
Molecular Weight273.20 g/mol
Exact Mass273.03
IUPAC Name—
SMILES[CH-]c1ccccc1/C=C(\CC=C)C(=O)OC.[Co]
InChIInChI=1S/C14H14O2.Co/c1-4-7-13(14(15)16-3)10-12-9-6-5-8-11(12)2;/h2,4-6,8-10H,1,7H2,3H3;/q-1;/b13-10+;
InChIKeyJJXCSUOGTFXTCO-RSGUCCNWSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze CID 155933396 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (Z)-2-(bromomethyl)-3-(2-bromophenyl)prop-2-enoate
CID 46848449
trifluoro-[(E)-2-methoxycarbonyl-3-naphthalen-1-ylprop-2-enyl]boranuide
CID 11473020
methyl (E,4S)-4-methyl-2-prop-2-enylhex-2-enoate
CID 57408028
methyl 2-prop-2-enylhex-2-enoate
CID 174771854
methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-naphthalen-1-ylprop-2-enoate
CID 72723030
methyl (2E)-2-phenylpenta-2,4-dienoate
CID 102389363
methyl 2-phenylpenta-2,4-dienoate
CID 73023142
methyl 2-(4-benzylphenyl)-3-methylhexa-2,5-dienoate
CID 174895063
methyl (Z)-2-[[[(Z)-2-methoxycarbonyl-3-(2-nitrophenyl)prop-2-enyl]disulfanyl]methyl]-3-(2-nitrophenyl)prop-2-enoate
CID 24773871
methyl (E)-2-benzyl-3-[2-(diazomethyl)phenyl]prop-2-enoate
CID 138982955
methyl (Z)-3-phenyl-2-(sulfanylmethyl)prop-2-enoate
CID 42598055
dimethyl 2-benzylidenebutanedioate
CID 4688794

Frequently Asked Questions

What is the IUPAC name of CID 155933396?
The IUPAC name of CID 155933396 (CID 155933396) is not available.
What is the SMILES notation for CID 155933396?
The canonical SMILES for CID 155933396 is [CH-]c1ccccc1/C=C(\CC=C)C(=O)OC.[Co].
What is the InChIKey of CID 155933396?
The InChIKey is JJXCSUOGTFXTCO-RSGUCCNWSA-N. The full InChI is InChI=1S/C14H14O2.Co/c1-4-7-13(14(15)16-3)10-12-9-6-5-8-11(12)2;/h2,4-6,8-10H,1,7H2,3H3;/q-1;/b13-10+;.
What are the key properties of CID 155933396?
CID 155933396 has a molecular weight of 273.20 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155933396 is sourced from PubChem (CID 155933396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).