spiro[2,4-dihydro-1H-quinoline-3,3'-pyrrolidine]-1'-carbonitrile

C13H15N3 — CID 154618923

IUPACspiro[2,4-dihydro-1H-quinoline-3,3'-pyrrolidine]-1'-carbonitrile
SMILESN#CN1CCC2(CNc3ccccc3C2)C1
InChIInChI=1S/C13H15N3/c14-10-16-6-5-13(9-16)7-11-3-1-2-4-12(11)15-8-13/h1-4,15H,5-9H2
InChIKeyHSEUBBMWFYENFP-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.83
Rot. Bonds

About spiro[2,4-dihydro-1H-quinoline-3,3'-pyrrolidine]-1'-carbonitrile

spiro[2,4-dihydro-1H-quinoline-3,3'-pyrrolidine]-1'-carbonitrile (PubChem CID 154618923) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is spiro[2,4-dihydro-1H-quinoline-3,3'-pyrrolidine]-1'-carbonitrile.

Molecular Properties

Compound Namespiro[2,4-dihydro-1H-quinoline-3,3'-pyrrolidine]-1'-carbonitrile
PubChem CID154618923
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Namespiro[2,4-dihydro-1H-quinoline-3,3'-pyrrolidine]-1'-carbonitrile
SMILESN#CN1CCC2(CNc3ccccc3C2)C1
InChIInChI=1S/C13H15N3/c14-10-16-6-5-13(9-16)7-11-3-1-2-4-12(11)15-8-13/h1-4,15H,5-9H2
InChIKeyHSEUBBMWFYENFP-UHFFFAOYSA-N
XLogP1.83
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3R)-spiro[2,4-dihydro-1H-quinoline-3,3'-piperidine]-1'-carboxylate
CID 86334393
2-azaspiro[4.4]nonane-2-carbonitrile
CID 130516424
(3S)-2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,3'-pyrrolidine]-1'-carbonitrile
CID 137479997
2-oxo-6-(4-phenylmethoxyphenyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-1'-carbonitrile
CID 137378561
4,4-dimethyl-1,2,3,5-tetrahydro-1-benzazepine;ethane
CID 142006260
N-[2-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-7-yl)phenyl]acetamide
CID 137479981
5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]
CID 115099503
1'-methylspiro[1,3-dihydroindole-2,4'-piperidine]
CID 170208528
N-[2-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-6-yl)phenyl]acetamide
CID 137378594
6-ethynyl-2,6-diazaspiro[3.4]octane
CID 129180673
2,2-dimethyl-1,3-dihydroindole;ethane
CID 90930598
4-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-7-yl)-N-methylbenzamide
CID 137479980

Frequently Asked Questions

What is the IUPAC name of spiro[2,4-dihydro-1H-quinoline-3,3'-pyrrolidine]-1'-carbonitrile?
The IUPAC name of spiro[2,4-dihydro-1H-quinoline-3,3'-pyrrolidine]-1'-carbonitrile (CID 154618923) is spiro[2,4-dihydro-1H-quinoline-3,3'-pyrrolidine]-1'-carbonitrile.
What is the SMILES notation for spiro[2,4-dihydro-1H-quinoline-3,3'-pyrrolidine]-1'-carbonitrile?
The canonical SMILES for spiro[2,4-dihydro-1H-quinoline-3,3'-pyrrolidine]-1'-carbonitrile is N#CN1CCC2(CNc3ccccc3C2)C1.
What is the InChIKey of spiro[2,4-dihydro-1H-quinoline-3,3'-pyrrolidine]-1'-carbonitrile?
The InChIKey is HSEUBBMWFYENFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-10-16-6-5-13(9-16)7-11-3-1-2-4-12(11)15-8-13/h1-4,15H,5-9H2.
What are the key properties of spiro[2,4-dihydro-1H-quinoline-3,3'-pyrrolidine]-1'-carbonitrile?
spiro[2,4-dihydro-1H-quinoline-3,3'-pyrrolidine]-1'-carbonitrile has a molecular weight of 213.28 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,4-dihydro-1H-quinoline-3,3'-pyrrolidine]-1'-carbonitrile is sourced from PubChem (CID 154618923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).