2,6-dioxaspiro[4.5]decan-9-yl-(2-methylpyrrolidin-3-yl)methanone

C14H23NO3 — CID 116592083

IUPAC2,6-dioxaspiro[4.5]decan-9-yl-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1NCCC1C(=O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H23NO3/c1-10-12(2-5-15-10)13(16)11-3-6-18-14(8-11)4-7-17-9-14/h10-12,15H,2-9H2,1H3
InChIKeyNNCOVSJUHCBOFF-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.14
Rot. Bonds2

About 2,6-dioxaspiro[4.5]decan-9-yl-(2-methylpyrrolidin-3-yl)methanone

2,6-dioxaspiro[4.5]decan-9-yl-(2-methylpyrrolidin-3-yl)methanone (PubChem CID 116592083) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl-(2-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl-(2-methylpyrrolidin-3-yl)methanone
PubChem CID116592083
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl-(2-methylpyrrolidin-3-yl)methanone
SMILESCC1NCCC1C(=O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H23NO3/c1-10-12(2-5-15-10)13(16)11-3-6-18-14(8-11)4-7-17-9-14/h10-12,15H,2-9H2,1H3
InChIKeyNNCOVSJUHCBOFF-UHFFFAOYSA-N
XLogP1.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone
CID 79920975
2,6-dioxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787850
2,3-dihydro-1H-inden-2-yl(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 79909187
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-3-ylethanone
CID 116583410
3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116550718
2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone
CID 103447799
2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one
CID 116548972
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 116549239
2,6-dioxaspiro[4.5]decan-9-yl-(4-propylpiperidin-4-yl)methanone
CID 116569138
7-azabicyclo[2.2.1]heptan-2-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 116575972
4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one
CID 79923487
2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116558477

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(2-methylpyrrolidin-3-yl)methanone?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(2-methylpyrrolidin-3-yl)methanone (CID 116592083) is 2,6-dioxaspiro[4.5]decan-9-yl-(2-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl-(2-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl-(2-methylpyrrolidin-3-yl)methanone is CC1NCCC1C(=O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl-(2-methylpyrrolidin-3-yl)methanone?
The InChIKey is NNCOVSJUHCBOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10-12(2-5-15-10)13(16)11-3-6-18-14(8-11)4-7-17-9-14/h10-12,15H,2-9H2,1H3.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl-(2-methylpyrrolidin-3-yl)methanone?
2,6-dioxaspiro[4.5]decan-9-yl-(2-methylpyrrolidin-3-yl)methanone has a molecular weight of 253.34 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl-(2-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 116592083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).