1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile

C15H21N3O3 — CID 131686775

IUPAC1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC3(CC2)CNC(=O)CO3)CCCC1
InChIInChI=1S/C15H21N3O3/c16-10-14(3-1-2-4-14)13(20)18-7-5-15(6-8-18)11-17-12(19)9-21-15/h1-9,11H2,(H,17,19)
InChIKeyMUQDNCXFXQUQLI-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.58
Rot. Bonds1

About 1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile

1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile (PubChem CID 131686775) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile
PubChem CID131686775
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC3(CC2)CNC(=O)CO3)CCCC1
InChIInChI=1S/C15H21N3O3/c16-10-14(3-1-2-4-14)13(20)18-7-5-15(6-8-18)11-17-12(19)9-21-15/h1-9,11H2,(H,17,19)
InChIKeyMUQDNCXFXQUQLI-UHFFFAOYSA-N
XLogP0.58
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile
CID 62046426
1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 51073773
1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile
CID 131683867
1-[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
CID 131690386
1-[4-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile
CID 131686683
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294
9-oxo-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid
CID 67293081
9-(1-oxo-2,3-dihydroindene-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162630313
9-(pyridine-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155838295
9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131686408
1-[1-(cyclopropylmethyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile
CID 131689940
3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 154819330

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile (CID 131686775) is 1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile is N#CC1(C(=O)N2CCC3(CC2)CNC(=O)CO3)CCCC1.
What is the InChIKey of 1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile?
The InChIKey is MUQDNCXFXQUQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-10-14(3-1-2-4-14)13(20)18-7-5-15(6-8-18)11-17-12(19)9-21-15/h1-9,11H2,(H,17,19).
What are the key properties of 1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile?
1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile has a molecular weight of 291.35 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 131686775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).