2-cyclopentyl-1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]ethanone

C15H25NO2 — CID 72866835

IUPAC2-cyclopentyl-1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CC2CCCC2)C[C@@]1(O)C1CC1
InChIInChI=1S/C15H25NO2/c1-11-9-16(10-15(11,18)13-6-7-13)14(17)8-12-4-2-3-5-12/h11-13,18H,2-10H2,1H3/t11-,15+/m1/s1
InChIKeyGYDPJGZMWRUCLO-ABAIWWIYSA-N
MW251.37 g/mol
LogP2.19
Rot. Bonds3

About 2-cyclopentyl-1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]ethanone

2-cyclopentyl-1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]ethanone (PubChem CID 72866835) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]ethanone
PubChem CID72866835
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-cyclopentyl-1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CC2CCCC2)C[C@@]1(O)C1CC1
InChIInChI=1S/C15H25NO2/c1-11-9-16(10-15(11,18)13-6-7-13)14(17)8-12-4-2-3-5-12/h11-13,18H,2-10H2,1H3/t11-,15+/m1/s1
InChIKeyGYDPJGZMWRUCLO-ABAIWWIYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]ethanone (CID 72866835) is 2-cyclopentyl-1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]ethanone is C[C@@H]1CN(C(=O)CC2CCCC2)C[C@@]1(O)C1CC1.
What is the InChIKey of 2-cyclopentyl-1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]ethanone?
The InChIKey is GYDPJGZMWRUCLO-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11-9-16(10-15(11,18)13-6-7-13)14(17)8-12-4-2-3-5-12/h11-13,18H,2-10H2,1H3/t11-,15+/m1/s1.
What are the key properties of 2-cyclopentyl-1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]ethanone?
2-cyclopentyl-1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]ethanone has a molecular weight of 251.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 72866835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).