1-(cyclopentylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carbonitrile

C13H19N3O — CID 114239000

IUPAC1-(cyclopentylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carbonitrile
SMILESN#CC1(NC2CCCC2)CC(=O)N2CCCC21
InChIInChI=1S/C13H19N3O/c14-9-13(15-10-4-1-2-5-10)8-12(17)16-7-3-6-11(13)16/h10-11,15H,1-8H2
InChIKeyJLOSLSWFSZNKAT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.18
Rot. Bonds2

About 1-(cyclopentylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carbonitrile

1-(cyclopentylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carbonitrile (PubChem CID 114239000) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carbonitrile
PubChem CID114239000
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(cyclopentylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carbonitrile
SMILESN#CC1(NC2CCCC2)CC(=O)N2CCCC21
InChIInChI=1S/C13H19N3O/c14-9-13(15-10-4-1-2-5-10)8-12(17)16-7-3-6-11(13)16/h10-11,15H,1-8H2
InChIKeyJLOSLSWFSZNKAT-UHFFFAOYSA-N
XLogP1.18
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-1-(2,2,2-trifluoroethylamino)-2,5,6,7,8,8a-hexahydroindolizine-1-carbonitrile
CID 114239004
3-oxo-1-piperazin-1-yl-2,5,6,7,8,8a-hexahydroindolizine-1-carbonitrile
CID 114238992
1-morpholin-4-yl-3-oxo-2,5,6,7,8,8a-hexahydroindolizine-1-carbonitrile
CID 114239126
4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile
CID 105365366
3-(cyclopentylamino)-2-methylthiane-3-carbonitrile
CID 79951745
1-(methylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carboxamide
CID 130490614
1-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 28702667
1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile
CID 64755958
1-(cyclopentylamino)-2,5-dimethylcyclohexane-1-carbonitrile
CID 64755960
1-(cycloheptylamino)cyclooctane-1-carbonitrile
CID 54894299
(1R,8aS)-1-hydroxy-1-phenyl-2,5,6,7,8,8a-hexahydroindolizin-3-one
CID 125489087
2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 60997796

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carbonitrile?
The IUPAC name of 1-(cyclopentylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carbonitrile (CID 114239000) is 1-(cyclopentylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carbonitrile.
What is the SMILES notation for 1-(cyclopentylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carbonitrile?
The canonical SMILES for 1-(cyclopentylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carbonitrile is N#CC1(NC2CCCC2)CC(=O)N2CCCC21.
What is the InChIKey of 1-(cyclopentylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carbonitrile?
The InChIKey is JLOSLSWFSZNKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-9-13(15-10-4-1-2-5-10)8-12(17)16-7-3-6-11(13)16/h10-11,15H,1-8H2.
What are the key properties of 1-(cyclopentylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carbonitrile?
1-(cyclopentylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carbonitrile has a molecular weight of 233.31 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carbonitrile is sourced from PubChem (CID 114239000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).