(1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

C15H13NO3 — CID 10131273

IUPAC(1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
SMILESO=C(c1ccccc1)c1cc2n(c1)CC[C@@H]2C(=O)O
InChIInChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)11-8-13-12(15(18)19)6-7-16(13)9-11/h1-5,8-9,12H,6-7H2,(H,18,19)/t12-/m0/s1
InChIKeyDJZUDKBHTXZJRO-LBPRGKRZSA-N
MW255.27 g/mol
LogP2.29
Rot. Bonds3

About (1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

(1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (PubChem CID 10131273) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
PubChem CID10131273
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
SMILESO=C(c1ccccc1)c1cc2n(c1)CC[C@@H]2C(=O)O
InChIInChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)11-8-13-12(15(18)19)6-7-16(13)9-11/h1-5,8-9,12H,6-7H2,(H,18,19)/t12-/m0/s1
InChIKeyDJZUDKBHTXZJRO-LBPRGKRZSA-N
XLogP2.29
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diphenylmethanone
CID 3102
2-amino-2-(hydroxymethyl)propane-1,3-diol;(1S)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 73416230
cyclohexane-1,2-dicarboxylic acid;diphenylmethanone
CID 175435053
[4-(aziridin-1-yl)phenyl]-phenylmethanone
CID 102156745
5-(3-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 13487035
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper
CID 70488217
5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;butane-1,1,1,2-tetramine
CID 175148406
magnesium;diphenylmethanone;hydride
CID 175114327

Frequently Asked Questions

What is the IUPAC name of (1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The IUPAC name of (1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (CID 10131273) is (1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid.
What is the SMILES notation for (1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The canonical SMILES for (1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid is O=C(c1ccccc1)c1cc2n(c1)CC[C@@H]2C(=O)O.
What is the InChIKey of (1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The InChIKey is DJZUDKBHTXZJRO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)11-8-13-12(15(18)19)6-7-16(13)9-11/h1-5,8-9,12H,6-7H2,(H,18,19)/t12-/m0/s1.
What are the key properties of (1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
(1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid is sourced from PubChem (CID 10131273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).