[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone

C21H29NO3 — CID 128964038

IUPAC[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
SMILESO=C(N1CCCC1C1COCCC1O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C21H29NO3/c23-19-10-14-25-15-17(19)18-9-6-13-22(18)20(24)21(11-4-5-12-21)16-7-2-1-3-8-16/h1-3,7-8,17-19,23H,4-6,9-15H2
InChIKeyAOCZNTIYZQHSST-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.89
Rot. Bonds3

About [2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone

[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone (PubChem CID 128964038) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is [2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone.

Molecular Properties

Compound Name[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
PubChem CID128964038
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
SMILESO=C(N1CCCC1C1COCCC1O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C21H29NO3/c23-19-10-14-25-15-17(19)18-9-6-13-22(18)20(24)21(11-4-5-12-21)16-7-2-1-3-8-16/h1-3,7-8,17-19,23H,4-6,9-15H2
InChIKeyAOCZNTIYZQHSST-UHFFFAOYSA-N
XLogP2.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone?
The IUPAC name of [2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone (CID 128964038) is [2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone.
What is the SMILES notation for [2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone?
The canonical SMILES for [2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone is O=C(N1CCCC1C1COCCC1O)C1(c2ccccc2)CCCC1.
What is the InChIKey of [2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone?
The InChIKey is AOCZNTIYZQHSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c23-19-10-14-25-15-17(19)18-9-6-13-22(18)20(24)21(11-4-5-12-21)16-7-2-1-3-8-16/h1-3,7-8,17-19,23H,4-6,9-15H2.
What are the key properties of [2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone?
[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone has a molecular weight of 343.47 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone is sourced from PubChem (CID 128964038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).