(4-methoxypyrrolidin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

C14H23NO3 — CID 116560515

IUPAC(4-methoxypyrrolidin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCOC1CNC(C(=O)C2CCOC3(CCC3)C2)C1
InChIInChI=1S/C14H23NO3/c1-17-11-7-12(15-9-11)13(16)10-3-6-18-14(8-10)4-2-5-14/h10-12,15H,2-9H2,1H3
InChIKeyXWEMQDVKAMDJFC-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.28
Rot. Bonds3

About (4-methoxypyrrolidin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

(4-methoxypyrrolidin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 116560515) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (4-methoxypyrrolidin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name(4-methoxypyrrolidin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID116560515
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(4-methoxypyrrolidin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCOC1CNC(C(=O)C2CCOC3(CCC3)C2)C1
InChIInChI=1S/C14H23NO3/c1-17-11-7-12(15-9-11)13(16)10-3-6-18-14(8-10)4-2-5-14/h10-12,15H,2-9H2,1H3
InChIKeyXWEMQDVKAMDJFC-UHFFFAOYSA-N
XLogP1.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116560737
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913745
(3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 114215606
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116549168
6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787700
(2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 107003969
N-(2,2-dimethyloxan-4-yl)-4-methoxypyrrolidine-2-carboxamide
CID 83033104
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)prop-2-en-1-one
CID 103446328
(3-amino-2-bicyclo[2.2.1]heptanyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116580741
6-azaspiro[2.5]octan-2-yl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116573069
(2-ethyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 114106570
(4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913550

Frequently Asked Questions

What is the IUPAC name of (4-methoxypyrrolidin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of (4-methoxypyrrolidin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 116560515) is (4-methoxypyrrolidin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for (4-methoxypyrrolidin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for (4-methoxypyrrolidin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is COC1CNC(C(=O)C2CCOC3(CCC3)C2)C1.
What is the InChIKey of (4-methoxypyrrolidin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is XWEMQDVKAMDJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-17-11-7-12(15-9-11)13(16)10-3-6-18-14(8-10)4-2-5-14/h10-12,15H,2-9H2,1H3.
What are the key properties of (4-methoxypyrrolidin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
(4-methoxypyrrolidin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 253.34 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypyrrolidin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 116560515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).