2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-one

C18H29NO2 — CID 102898105

IUPAC2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C18H29NO2/c20-17-7-3-5-15(17)16-6-4-12-19(16)13-14-8-11-18(21-14)9-1-2-10-18/h14-16H,1-13H2
InChIKeyKSUXNUWRUMETMM-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.31
Rot. Bonds3

About 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-one

2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 102898105) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID102898105
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C18H29NO2/c20-17-7-3-5-15(17)16-6-4-12-19(16)13-14-8-11-18(21-14)9-1-2-10-18/h14-16H,1-13H2
InChIKeyKSUXNUWRUMETMM-UHFFFAOYSA-N
XLogP3.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-one (CID 102898105) is 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCN1CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is KSUXNUWRUMETMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c20-17-7-3-5-15(17)16-6-4-12-19(16)13-14-8-11-18(21-14)9-1-2-10-18/h14-16H,1-13H2.
What are the key properties of 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 291.44 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 102898105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).