lithium 2-benzoylindole-1-carboxylate

C16H10LiNO3 — CID 134905163

IUPAClithium 2-benzoylindole-1-carboxylate
SMILESO=C(c1ccccc1)c1cc2ccccc2n1C(=O)[O-].[Li+]
InChIInChI=1S/C16H11NO3.Li/c18-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17(14)16(19)20;/h1-10H,(H,19,20);/q;+1/p-1
InChIKeyFAJARDCRXAXHBE-UHFFFAOYSA-M
MW271.20 g/mol
LogP-0.93
Rot. Bonds2

About lithium 2-benzoylindole-1-carboxylate

lithium 2-benzoylindole-1-carboxylate (PubChem CID 134905163) has the molecular formula C16H10LiNO3 and a molecular weight of 271.20 g/mol. Its IUPAC name is lithium 2-benzoylindole-1-carboxylate.

Molecular Properties

Compound Namelithium 2-benzoylindole-1-carboxylate
PubChem CID134905163
Molecular FormulaC16H10LiNO3
Molecular Weight271.20 g/mol
Exact Mass271.08
IUPAC Namelithium 2-benzoylindole-1-carboxylate
SMILESO=C(c1ccccc1)c1cc2ccccc2n1C(=O)[O-].[Li+]
InChIInChI=1S/C16H11NO3.Li/c18-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17(14)16(19)20;/h1-10H,(H,19,20);/q;+1/p-1
InChIKeyFAJARDCRXAXHBE-UHFFFAOYSA-M
XLogP-0.93
TPSA62.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone
CID 56955530
indolo[1,2-a]quinolin-6-yl(phenyl)methanone
CID 102044389
anthracene;diphenylmethanone
CID 87408663
(4-fluorophenyl)-(1-methylindol-2-yl)methanone
CID 10377568
(1-oxido-4-oxoquinoxalin-4-ium-2-yl)-phenylmethanone
CID 13098158
1-(benzenesulfonyl)indole-2-carbonyl chloride
CID 2776221
diphenylmethanone
CID 3102
2-(1-oxamoylindol-2-yl)-2-oxoacetamide
CID 68855210
1-(trifluoromethylsulfonyloxy)indole-2-carboxylic acid
CID 91329535
N-[2-[1-(benzenesulfonyl)indole-2-carbonyl]phenyl]benzamide
CID 11733543
3-benzoylindolizine-1-carboxylic acid
CID 71356515
(4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 102206318

Frequently Asked Questions

What is the IUPAC name of lithium 2-benzoylindole-1-carboxylate?
The IUPAC name of lithium 2-benzoylindole-1-carboxylate (CID 134905163) is lithium 2-benzoylindole-1-carboxylate.
What is the SMILES notation for lithium 2-benzoylindole-1-carboxylate?
The canonical SMILES for lithium 2-benzoylindole-1-carboxylate is O=C(c1ccccc1)c1cc2ccccc2n1C(=O)[O-].[Li+].
What is the InChIKey of lithium 2-benzoylindole-1-carboxylate?
The InChIKey is FAJARDCRXAXHBE-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H11NO3.Li/c18-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17(14)16(19)20;/h1-10H,(H,19,20);/q;+1/p-1.
What are the key properties of lithium 2-benzoylindole-1-carboxylate?
lithium 2-benzoylindole-1-carboxylate has a molecular weight of 271.20 g/mol, XLogP of -0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-benzoylindole-1-carboxylate is sourced from PubChem (CID 134905163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).