9-(indolizine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C17H19N3O3 — CID 162626144

IUPAC9-(indolizine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1NCC2(CCCN(C(=O)c3ccc4ccccn34)CC2)O1
InChIInChI=1S/C17H19N3O3/c21-15(14-6-5-13-4-1-2-10-20(13)14)19-9-3-7-17(8-11-19)12-18-16(22)23-17/h1-2,4-6,10H,3,7-9,11-12H2,(H,18,22)
InChIKeyFDSMOCDTHLNNPV-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.04
Rot. Bonds1

About 9-(indolizine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

9-(indolizine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 162626144) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 9-(indolizine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-(indolizine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID162626144
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name9-(indolizine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1NCC2(CCCN(C(=O)c3ccc4ccccn34)CC2)O1
InChIInChI=1S/C17H19N3O3/c21-15(14-6-5-13-4-1-2-10-20(13)14)19-9-3-7-17(8-11-19)12-18-16(22)23-17/h1-2,4-6,10H,3,7-9,11-12H2,(H,18,22)
InChIKeyFDSMOCDTHLNNPV-UHFFFAOYSA-N
XLogP2.04
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668800
(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
(5S)-9-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95715470
2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 154589259
9-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56883107
(5R)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 125446718
(5R)-9-(6-methyl-4-oxopyran-2-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 99936720
8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 147984267
8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668803
9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56896758
(5R)-9-(2-pyridin-3-ylacetyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95714313

Frequently Asked Questions

What is the IUPAC name of 9-(indolizine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-(indolizine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 162626144) is 9-(indolizine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-(indolizine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-(indolizine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is O=C1NCC2(CCCN(C(=O)c3ccc4ccccn34)CC2)O1.
What is the InChIKey of 9-(indolizine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is FDSMOCDTHLNNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-15(14-6-5-13-4-1-2-10-20(13)14)19-9-3-7-17(8-11-19)12-18-16(22)23-17/h1-2,4-6,10H,3,7-9,11-12H2,(H,18,22).
What are the key properties of 9-(indolizine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
9-(indolizine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 313.36 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(indolizine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 162626144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).