1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile

C17H24N3O+ — CID 6957127

IUPAC1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile
SMILESCC(C)Cc1[nH+]c(N2CCOCC2)c(C#N)c2c1CCC2
InChIInChI=1S/C17H23N3O/c1-12(2)10-16-14-5-3-4-13(14)15(11-18)17(19-16)20-6-8-21-9-7-20/h12H,3-10H2,1-2H3/p+1
InChIKeyRWQPDHJLWOVRSO-UHFFFAOYSA-O
MW286.40 g/mol
LogP1.90
Rot. Bonds3

About 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile

1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile (PubChem CID 6957127) has the molecular formula C17H24N3O+ and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile
PubChem CID6957127
Molecular FormulaC17H24N3O+
Molecular Weight286.40 g/mol
Exact Mass286.19
IUPAC Name1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile
SMILESCC(C)Cc1[nH+]c(N2CCOCC2)c(C#N)c2c1CCC2
InChIInChI=1S/C17H23N3O/c1-12(2)10-16-14-5-3-4-13(14)15(11-18)17(19-16)20-6-8-21-9-7-20/h12H,3-10H2,1-2H3/p+1
InChIKeyRWQPDHJLWOVRSO-UHFFFAOYSA-O
XLogP1.90
TPSA50.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile with MolForge

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Related Compounds

3-(4-acetylpiperazin-1-yl)-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile
CID 6955254
3-morpholin-4-yl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile
CID 7013262
2,4,5-trichloro-6-morpholin-4-ylpyridin-1-ium-3-carbonitrile
CID 6938265
1-(2-methylpropyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carbonitrile
CID 661524
2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile
CID 7129524
ethyl 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]propanoate
CID 3971384
1-phenyl-3-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile
CID 6945861
6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
CID 6942138
3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
CID 7358488
1,2,3,6,7,8-hexahydro-as-indacene-4,5-dicarbonitrile
CID 22157187
4,5-dihydroxy-2-morpholin-4-ylbenzene-1,3-dicarbonitrile
CID 90015410
(2R)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]propanoate
CID 7358610

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile?
The IUPAC name of 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile (CID 6957127) is 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile.
What is the SMILES notation for 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile?
The canonical SMILES for 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile is CC(C)Cc1[nH+]c(N2CCOCC2)c(C#N)c2c1CCC2.
What is the InChIKey of 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile?
The InChIKey is RWQPDHJLWOVRSO-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23N3O/c1-12(2)10-16-14-5-3-4-13(14)15(11-18)17(19-16)20-6-8-21-9-7-20/h12H,3-10H2,1-2H3/p+1.
What are the key properties of 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile?
1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile has a molecular weight of 286.40 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile is sourced from PubChem (CID 6957127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).