methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate

C15H20N2O4 — CID 118666490

IUPACmethyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate
SMILESCOC(=O)NC1(c2ccccn2)CCC2(CC1)OCCO2
InChIInChI=1S/C15H20N2O4/c1-19-13(18)17-14(12-4-2-3-9-16-12)5-7-15(8-6-14)20-10-11-21-15/h2-4,9H,5-8,10-11H2,1H3,(H,17,18)
InChIKeyKDJLTJLQYHNGGV-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.95
Rot. Bonds2

About methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate

methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate (PubChem CID 118666490) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate
PubChem CID118666490
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namemethyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate
SMILESCOC(=O)NC1(c2ccccn2)CCC2(CC1)OCCO2
InChIInChI=1S/C15H20N2O4/c1-19-13(18)17-14(12-4-2-3-9-16-12)5-7-15(8-6-14)20-10-11-21-15/h2-4,9H,5-8,10-11H2,1H3,(H,17,18)
InChIKeyKDJLTJLQYHNGGV-UHFFFAOYSA-N
XLogP1.95
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate?
The IUPAC name of methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate (CID 118666490) is methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate.
What is the SMILES notation for methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate?
The canonical SMILES for methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate is COC(=O)NC1(c2ccccn2)CCC2(CC1)OCCO2.
What is the InChIKey of methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate?
The InChIKey is KDJLTJLQYHNGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-19-13(18)17-14(12-4-2-3-9-16-12)5-7-15(8-6-14)20-10-11-21-15/h2-4,9H,5-8,10-11H2,1H3,(H,17,18).
What are the key properties of methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate?
methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate has a molecular weight of 292.33 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate is sourced from PubChem (CID 118666490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).