[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl] cyclopentene-1-carboxylate

C14H21NO3 — CID 97226820

IUPAC[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl] cyclopentene-1-carboxylate
SMILESC[C@@H](CCN1CCCC1=O)OC(=O)C1=CCCC1
InChIInChI=1S/C14H21NO3/c1-11(8-10-15-9-4-7-13(15)16)18-14(17)12-5-2-3-6-12/h5,11H,2-4,6-10H2,1H3/t11-/m0/s1
InChIKeyIESQKPXIWVOBJS-NSHDSACASA-N
MW251.33 g/mol
LogP2.04
Rot. Bonds5

About [(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl] cyclopentene-1-carboxylate

[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl] cyclopentene-1-carboxylate (PubChem CID 97226820) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl] cyclopentene-1-carboxylate.

Molecular Properties

Compound Name[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl] cyclopentene-1-carboxylate
PubChem CID97226820
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl] cyclopentene-1-carboxylate
SMILESC[C@@H](CCN1CCCC1=O)OC(=O)C1=CCCC1
InChIInChI=1S/C14H21NO3/c1-11(8-10-15-9-4-7-13(15)16)18-14(17)12-5-2-3-6-12/h5,11H,2-4,6-10H2,1H3/t11-/m0/s1
InChIKeyIESQKPXIWVOBJS-NSHDSACASA-N
XLogP2.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-methyl-5-oxo-2H-furan-2-yl)propyl]pyrrolidin-2-one
CID 162402967
Methyl 5-oxo-3,6,7,8-tetrahydropyrrolizine-1-carboxylate
CID 11126876
1-[3-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propyl]pyrrolidine-2,5-dione
CID 11195733
[(8S)-5-oxo-3,6,7,8-tetrahydropyrrolizin-1-yl]methyl acetate
CID 11298508
4-(2-Oxopyrrolidin-1-yl)butan-2-yl cyclopentene-1-carboxylate
CID 75381027
(1-Ethyl-5-oxopyrrolidin-3-yl)methyl cycloheptene-1-carboxylate
CID 75524586
[(2R)-4-(2-oxopyrrolidin-1-yl)butan-2-yl] cyclopentene-1-carboxylate
CID 97226821
[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl cycloheptene-1-carboxylate
CID 97839997
[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl cycloheptene-1-carboxylate
CID 97839998
3-(Dipropylamino)propyl cyclopentene-1-carboxylate
CID 99800467
hexyl (E)-7-oxo-7-pyrrolidin-1-ylhept-2-enoate
CID 102462004
6-(2-oxopyrrolidin-1-yl)hexyl (Z)-hex-2-enoate
CID 145314555

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl] cyclopentene-1-carboxylate?
The IUPAC name of [(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl] cyclopentene-1-carboxylate (CID 97226820) is [(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl] cyclopentene-1-carboxylate.
What is the SMILES notation for [(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl] cyclopentene-1-carboxylate?
The canonical SMILES for [(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl] cyclopentene-1-carboxylate is C[C@@H](CCN1CCCC1=O)OC(=O)C1=CCCC1.
What is the InChIKey of [(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl] cyclopentene-1-carboxylate?
The InChIKey is IESQKPXIWVOBJS-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(8-10-15-9-4-7-13(15)16)18-14(17)12-5-2-3-6-12/h5,11H,2-4,6-10H2,1H3/t11-/m0/s1.
What are the key properties of [(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl] cyclopentene-1-carboxylate?
[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl] cyclopentene-1-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl] cyclopentene-1-carboxylate is sourced from PubChem (CID 97226820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).