2-cyclopropyl-1,3-dihydroisoindole-5-carbonitrile

C12H12N2 — CID 82163959

IUPAC2-cyclopropyl-1,3-dihydroisoindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CN(C1CC1)C2
InChIInChI=1S/C12H12N2/c13-6-9-1-2-10-7-14(12-3-4-12)8-11(10)5-9/h1-2,5,12H,3-4,7-8H2
InChIKeyNSSPDFSCHPQWRP-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.04
Rot. Bonds1

About 2-cyclopropyl-1,3-dihydroisoindole-5-carbonitrile

2-cyclopropyl-1,3-dihydroisoindole-5-carbonitrile (PubChem CID 82163959) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-cyclopropyl-1,3-dihydroisoindole-5-carbonitrile.

Molecular Properties

Compound Name2-cyclopropyl-1,3-dihydroisoindole-5-carbonitrile
PubChem CID82163959
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2-cyclopropyl-1,3-dihydroisoindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CN(C1CC1)C2
InChIInChI=1S/C12H12N2/c13-6-9-1-2-10-7-14(12-3-4-12)8-11(10)5-9/h1-2,5,12H,3-4,7-8H2
InChIKeyNSSPDFSCHPQWRP-UHFFFAOYSA-N
XLogP2.04
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzylpiperidin-4-yl)-1,3-dihydroisoindole-5-carbonitrile
CID 94778714
3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carbonitrile
CID 67160773
2-(1-benzhydrylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carbonitrile
CID 164880581
2-cyclopropyl-1,3-dihydroisoindole
CID 12953703
(2R)-2-piperazin-1-yl-2,3-dihydro-1H-indene-5-carbonitrile
CID 129388309
CID 89059815
CID 89059815
2-methanidyl-3,4-dihydro-1H-isoquinoline-6-carbonitrile
CID 58778089
6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 58916989
(6R)-6-(4-oxopiperidin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 10445028
2-[(2-fluorophenyl)methyl]-1,3-dihydroisoindole-5-carbonitrile
CID 82163958
2-[1-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline-6-carbonitrile
CID 164880706
(E)-3-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(8-cyano-1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]prop-2-enamide
CID 44525796

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1,3-dihydroisoindole-5-carbonitrile?
The IUPAC name of 2-cyclopropyl-1,3-dihydroisoindole-5-carbonitrile (CID 82163959) is 2-cyclopropyl-1,3-dihydroisoindole-5-carbonitrile.
What is the SMILES notation for 2-cyclopropyl-1,3-dihydroisoindole-5-carbonitrile?
The canonical SMILES for 2-cyclopropyl-1,3-dihydroisoindole-5-carbonitrile is N#Cc1ccc2c(c1)CN(C1CC1)C2.
What is the InChIKey of 2-cyclopropyl-1,3-dihydroisoindole-5-carbonitrile?
The InChIKey is NSSPDFSCHPQWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c13-6-9-1-2-10-7-14(12-3-4-12)8-11(10)5-9/h1-2,5,12H,3-4,7-8H2.
What are the key properties of 2-cyclopropyl-1,3-dihydroisoindole-5-carbonitrile?
2-cyclopropyl-1,3-dihydroisoindole-5-carbonitrile has a molecular weight of 184.24 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,3-dihydroisoindole-5-carbonitrile is sourced from PubChem (CID 82163959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).