4-(5-cyclopentyloxy-4-methoxypentyl)pyrrolidin-2-one

C15H27NO3 — CID 139888876

IUPAC4-(5-cyclopentyloxy-4-methoxypentyl)pyrrolidin-2-one
SMILESCOC(CCCC1CNC(=O)C1)COC1CCCC1
InChIInChI=1S/C15H27NO3/c1-18-14(11-19-13-6-2-3-7-13)8-4-5-12-9-15(17)16-10-12/h12-14H,2-11H2,1H3,(H,16,17)
InChIKeyYZUQUFAJBCHDDP-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.27
Rot. Bonds8

About 4-(5-cyclopentyloxy-4-methoxypentyl)pyrrolidin-2-one

4-(5-cyclopentyloxy-4-methoxypentyl)pyrrolidin-2-one (PubChem CID 139888876) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-(5-cyclopentyloxy-4-methoxypentyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-cyclopentyloxy-4-methoxypentyl)pyrrolidin-2-one
PubChem CID139888876
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-(5-cyclopentyloxy-4-methoxypentyl)pyrrolidin-2-one
SMILESCOC(CCCC1CNC(=O)C1)COC1CCCC1
InChIInChI=1S/C15H27NO3/c1-18-14(11-19-13-6-2-3-7-13)8-4-5-12-9-15(17)16-10-12/h12-14H,2-11H2,1H3,(H,16,17)
InChIKeyYZUQUFAJBCHDDP-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopentyloxy-4-methoxypentyl)pyrrolidin-2-one?
The IUPAC name of 4-(5-cyclopentyloxy-4-methoxypentyl)pyrrolidin-2-one (CID 139888876) is 4-(5-cyclopentyloxy-4-methoxypentyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(5-cyclopentyloxy-4-methoxypentyl)pyrrolidin-2-one?
The canonical SMILES for 4-(5-cyclopentyloxy-4-methoxypentyl)pyrrolidin-2-one is COC(CCCC1CNC(=O)C1)COC1CCCC1.
What is the InChIKey of 4-(5-cyclopentyloxy-4-methoxypentyl)pyrrolidin-2-one?
The InChIKey is YZUQUFAJBCHDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-18-14(11-19-13-6-2-3-7-13)8-4-5-12-9-15(17)16-10-12/h12-14H,2-11H2,1H3,(H,16,17).
What are the key properties of 4-(5-cyclopentyloxy-4-methoxypentyl)pyrrolidin-2-one?
4-(5-cyclopentyloxy-4-methoxypentyl)pyrrolidin-2-one has a molecular weight of 269.38 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopentyloxy-4-methoxypentyl)pyrrolidin-2-one is sourced from PubChem (CID 139888876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).