8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C14H15ClN2O3 — CID 110668800

IUPAC8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(C(=O)c3ccccc3Cl)CC2)O1
InChIInChI=1S/C14H15ClN2O3/c15-11-4-2-1-3-10(11)12(18)17-7-5-14(6-8-17)9-16-13(19)20-14/h1-4H,5-9H2,(H,16,19)
InChIKeyLFUUKQZVKMUUGU-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.05
Rot. Bonds1

About 8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 110668800) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID110668800
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(C(=O)c3ccccc3Cl)CC2)O1
InChIInChI=1S/C14H15ClN2O3/c15-11-4-2-1-3-10(11)12(18)17-7-5-14(6-8-17)9-16-13(19)20-14/h1-4H,5-9H2,(H,16,19)
InChIKeyLFUUKQZVKMUUGU-UHFFFAOYSA-N
XLogP2.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 147984267
1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260534
8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668803
(5R)-9-(2-methylfuran-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724610
9-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56911018
2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 154589259
8-[2-(2-methylphenyl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668836
8-[2-(4-fluorophenyl)quinoline-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 119065991
9-(indolizine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 162626144
(2-chlorophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406239
1-(2-chlorobenzoyl)piperidin-4-one
CID 24693065
(5R)-9-(4-methyl-2-piperidin-1-ylpyrimidine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95721539

Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 110668800) is 8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(C(=O)c3ccccc3Cl)CC2)O1.
What is the InChIKey of 8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LFUUKQZVKMUUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c15-11-4-2-1-3-10(11)12(18)17-7-5-14(6-8-17)9-16-13(19)20-14/h1-4H,5-9H2,(H,16,19).
What are the key properties of 8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 294.74 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 110668800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).