spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carbonitrile

C14H16N2 — CID 141172300

IUPACspiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C1(CCCCC1)CN2
InChIInChI=1S/C14H16N2/c15-9-11-4-5-13-12(8-11)14(10-16-13)6-2-1-3-7-14/h4-5,8,16H,1-3,6-7,10H2
InChIKeyZASSYIKFSSPCLR-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.19
Rot. Bonds

About spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carbonitrile

spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carbonitrile (PubChem CID 141172300) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carbonitrile.

Molecular Properties

Compound Namespiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carbonitrile
PubChem CID141172300
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Namespiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C1(CCCCC1)CN2
InChIInChI=1S/C14H16N2/c15-9-11-4-5-13-12(8-11)14(10-16-13)6-2-1-3-7-14/h4-5,8,16H,1-3,6-7,10H2
InChIKeyZASSYIKFSSPCLR-UHFFFAOYSA-N
XLogP3.19
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[1,2-dihydroindole-3,4'-oxane]-6-carbonitrile
CID 67286131
4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride
CID 86767500
5-methylsulfonylspiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 168726724
spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
CID 75465012
ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 123637985
6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 115049494
7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,1'-cyclopropane]
CID 170250564
2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-carbonitrile
CID 10535622
3-(1'-methylspiro[1,2-dihydroindole-3,4'-piperidine]-2'-yl)benzonitrile
CID 139999001
3,3-dimethyl-2-oxo-1H-indole-5-carbonitrile
CID 82490767
3-(3-oxospiro[1H-indene-2,1'-cyclohexane]-5-yl)benzonitrile
CID 66584778
spiro[2H-1-benzofuran-3,4'-piperidine]-5-carbonitrile
CID 70984337

Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carbonitrile?
The IUPAC name of spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carbonitrile (CID 141172300) is spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carbonitrile.
What is the SMILES notation for spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carbonitrile?
The canonical SMILES for spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carbonitrile is N#Cc1ccc2c(c1)C1(CCCCC1)CN2.
What is the InChIKey of spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carbonitrile?
The InChIKey is ZASSYIKFSSPCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c15-9-11-4-5-13-12(8-11)14(10-16-13)6-2-1-3-7-14/h4-5,8,16H,1-3,6-7,10H2.
What are the key properties of spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carbonitrile?
spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carbonitrile has a molecular weight of 212.30 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carbonitrile is sourced from PubChem (CID 141172300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).