8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one

C15H24N2O3 — CID 139013287

IUPAC8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCC1(C(=O)N2CCC3(CC2)CNC(=O)C3)CC1
InChIInChI=1S/C15H24N2O3/c1-20-9-6-15(2-3-15)13(19)17-7-4-14(5-8-17)10-12(18)16-11-14/h2-11H2,1H3,(H,16,18)
InChIKeyCQQYYRPAGZUGNC-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.93
Rot. Bonds4

About 8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one

8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 139013287) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID139013287
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCC1(C(=O)N2CCC3(CC2)CNC(=O)C3)CC1
InChIInChI=1S/C15H24N2O3/c1-20-9-6-15(2-3-15)13(19)17-7-4-14(5-8-17)10-12(18)16-11-14/h2-11H2,1H3,(H,16,18)
InChIKeyCQQYYRPAGZUGNC-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one (CID 139013287) is 8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one is COCCC1(C(=O)N2CCC3(CC2)CNC(=O)C3)CC1.
What is the InChIKey of 8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is CQQYYRPAGZUGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-20-9-6-15(2-3-15)13(19)17-7-4-14(5-8-17)10-12(18)16-11-14/h2-11H2,1H3,(H,16,18).
What are the key properties of 8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 280.37 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 139013287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).