cyclopentyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone

C15H26N2O2 — CID 71917578

IUPACcyclopentyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(NC2CCOCC2)C1
InChIInChI=1S/C15H26N2O2/c18-15(12-3-1-2-4-12)17-8-5-14(11-17)16-13-6-9-19-10-7-13/h12-14,16H,1-11H2
InChIKeyCENHTJXDBYCCSR-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.55
Rot. Bonds3

About cyclopentyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone

cyclopentyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone (PubChem CID 71917578) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is cyclopentyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone
PubChem CID71917578
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Namecyclopentyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(NC2CCOCC2)C1
InChIInChI=1S/C15H26N2O2/c18-15(12-3-1-2-4-12)17-8-5-14(11-17)16-13-6-9-19-10-7-13/h12-14,16H,1-11H2
InChIKeyCENHTJXDBYCCSR-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone (CID 71917578) is cyclopentyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone is O=C(C1CCCC1)N1CCC(NC2CCOCC2)C1.
What is the InChIKey of cyclopentyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone?
The InChIKey is CENHTJXDBYCCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-15(12-3-1-2-4-12)17-8-5-14(11-17)16-13-6-9-19-10-7-13/h12-14,16H,1-11H2.
What are the key properties of cyclopentyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone?
cyclopentyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone has a molecular weight of 266.38 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71917578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).