2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)butanoic acid

C14H23NO2 — CID 91276972

IUPAC2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)butanoic acid
SMILESCCC(C(=O)O)C1CCCC=C1N1CCCC1
InChIInChI=1S/C14H23NO2/c1-2-11(14(16)17)12-7-3-4-8-13(12)15-9-5-6-10-15/h8,11-12H,2-7,9-10H2,1H3,(H,16,17)
InChIKeyPBMCYCUPZHSOBR-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.88
Rot. Bonds4

About 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)butanoic acid

2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)butanoic acid (PubChem CID 91276972) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)butanoic acid
PubChem CID91276972
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)butanoic acid
SMILESCCC(C(=O)O)C1CCCC=C1N1CCCC1
InChIInChI=1S/C14H23NO2/c1-2-11(14(16)17)12-7-3-4-8-13(12)15-9-5-6-10-15/h8,11-12H,2-7,9-10H2,1H3,(H,16,17)
InChIKeyPBMCYCUPZHSOBR-UHFFFAOYSA-N
XLogP2.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)butanoic acid?
The IUPAC name of 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)butanoic acid (CID 91276972) is 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)butanoic acid.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)butanoic acid?
The canonical SMILES for 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)butanoic acid is CCC(C(=O)O)C1CCCC=C1N1CCCC1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)butanoic acid?
The InChIKey is PBMCYCUPZHSOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-11(14(16)17)12-7-3-4-8-13(12)15-9-5-6-10-15/h8,11-12H,2-7,9-10H2,1H3,(H,16,17).
What are the key properties of 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)butanoic acid?
2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)butanoic acid has a molecular weight of 237.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)butanoic acid is sourced from PubChem (CID 91276972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).