spiro[1,2-dihydroindole-3,4'-piperidine]-7-carbonitrile

C13H15N3 — CID 153496993

IUPACspiro[1,2-dihydroindole-3,4'-piperidine]-7-carbonitrile
SMILESN#Cc1cccc2c1NCC21CCNCC1
InChIInChI=1S/C13H15N3/c14-8-10-2-1-3-11-12(10)16-9-13(11)4-6-15-7-5-13/h1-3,15-16H,4-7,9H2
InChIKeyZLGXHSUPKNNOES-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.60
Rot. Bonds

About spiro[1,2-dihydroindole-3,4'-piperidine]-7-carbonitrile

spiro[1,2-dihydroindole-3,4'-piperidine]-7-carbonitrile (PubChem CID 153496993) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is spiro[1,2-dihydroindole-3,4'-piperidine]-7-carbonitrile.

Molecular Properties

Compound Namespiro[1,2-dihydroindole-3,4'-piperidine]-7-carbonitrile
PubChem CID153496993
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Namespiro[1,2-dihydroindole-3,4'-piperidine]-7-carbonitrile
SMILESN#Cc1cccc2c1NCC21CCNCC1
InChIInChI=1S/C13H15N3/c14-8-10-2-1-3-11-12(10)16-9-13(11)4-6-15-7-5-13/h1-3,15-16H,4-7,9H2
InChIKeyZLGXHSUPKNNOES-UHFFFAOYSA-N
XLogP1.60
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxyspiro[1,2-dihydroindole-3,4'-piperidine]
CID 138594581
7-fluorospiro[1,2-dihydroindole-3,3'-pyrrolidine]
CID 83830130
7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane]
CID 106701762
1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile
CID 139512061
4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride
CID 68663344
2-[(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)methyl]benzonitrile
CID 45074320
ethane;2-piperazin-1-ylbenzonitrile
CID 91561805
1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]
CID 106701715
spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carbonitrile
CID 141172300
2-ethynyl-3-piperidin-4-ylbenzonitrile
CID 89444983
2-(1,4-diazaspiro[5.5]undecan-1-yl)-3-methylbenzonitrile
CID 107111426
(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 86311934

Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydroindole-3,4'-piperidine]-7-carbonitrile?
The IUPAC name of spiro[1,2-dihydroindole-3,4'-piperidine]-7-carbonitrile (CID 153496993) is spiro[1,2-dihydroindole-3,4'-piperidine]-7-carbonitrile.
What is the SMILES notation for spiro[1,2-dihydroindole-3,4'-piperidine]-7-carbonitrile?
The canonical SMILES for spiro[1,2-dihydroindole-3,4'-piperidine]-7-carbonitrile is N#Cc1cccc2c1NCC21CCNCC1.
What is the InChIKey of spiro[1,2-dihydroindole-3,4'-piperidine]-7-carbonitrile?
The InChIKey is ZLGXHSUPKNNOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-8-10-2-1-3-11-12(10)16-9-13(11)4-6-15-7-5-13/h1-3,15-16H,4-7,9H2.
What are the key properties of spiro[1,2-dihydroindole-3,4'-piperidine]-7-carbonitrile?
spiro[1,2-dihydroindole-3,4'-piperidine]-7-carbonitrile has a molecular weight of 213.28 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroindole-3,4'-piperidine]-7-carbonitrile is sourced from PubChem (CID 153496993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).