1-cyclohexa-1,5-dien-1-yl-5-oxopyrrolidine-3-carboxylic acid

C11H13NO3 — CID 142338229

IUPAC1-cyclohexa-1,5-dien-1-yl-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(C2=CCCC=C2)C1
InChIInChI=1S/C11H13NO3/c13-10-6-8(11(14)15)7-12(10)9-4-2-1-3-5-9/h2,4-5,8H,1,3,6-7H2,(H,14,15)
InChIKeyNKPWNKKYEIOSIL-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.15
Rot. Bonds2

About 1-cyclohexa-1,5-dien-1-yl-5-oxopyrrolidine-3-carboxylic acid

1-cyclohexa-1,5-dien-1-yl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 142338229) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID142338229
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-cyclohexa-1,5-dien-1-yl-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(C2=CCCC=C2)C1
InChIInChI=1S/C11H13NO3/c13-10-6-8(11(14)15)7-12(10)9-4-2-1-3-5-9/h2,4-5,8H,1,3,6-7H2,(H,14,15)
InChIKeyNKPWNKKYEIOSIL-UHFFFAOYSA-N
XLogP1.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-5-oxopyrrolidine-3-carboxylic acid
CID 55300200
5-oxo-1-pyrimidin-5-ylpyrrolidine-3-carboxylic acid
CID 82672144
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-(5-iodopyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691970
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4739040
1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168654587
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692144
1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4914567
(3S)-1-(3,5-dichloro-4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076252
1-(3,5-dichloro-4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50874094
(3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid
CID 28875657
(3S)-1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2304169

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-5-oxopyrrolidine-3-carboxylic acid (CID 142338229) is 1-cyclohexa-1,5-dien-1-yl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(C2=CCCC=C2)C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is NKPWNKKYEIOSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-10-6-8(11(14)15)7-12(10)9-4-2-1-3-5-9/h2,4-5,8H,1,3,6-7H2,(H,14,15).
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-5-oxopyrrolidine-3-carboxylic acid?
1-cyclohexa-1,5-dien-1-yl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 142338229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).