3-(5-methylidenespiro[2.3]hexan-2-yl)quinoline

C16H15N — CID 166437321

IUPAC3-(5-methylidenespiro[2.3]hexan-2-yl)quinoline
SMILESC=C1CC2(C1)CC2c1cnc2ccccc2c1
InChIInChI=1S/C16H15N/c1-11-7-16(8-11)9-14(16)13-6-12-4-2-3-5-15(12)17-10-13/h2-6,10,14H,1,7-9H2
InChIKeyKUXDFQMPHHVDNW-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.06
Rot. Bonds1

About 3-(5-methylidenespiro[2.3]hexan-2-yl)quinoline

3-(5-methylidenespiro[2.3]hexan-2-yl)quinoline (PubChem CID 166437321) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(5-methylidenespiro[2.3]hexan-2-yl)quinoline.

Molecular Properties

Compound Name3-(5-methylidenespiro[2.3]hexan-2-yl)quinoline
PubChem CID166437321
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name3-(5-methylidenespiro[2.3]hexan-2-yl)quinoline
SMILESC=C1CC2(C1)CC2c1cnc2ccccc2c1
InChIInChI=1S/C16H15N/c1-11-7-16(8-11)9-14(16)13-6-12-4-2-3-5-15(12)17-10-13/h2-6,10,14H,1,7-9H2
InChIKeyKUXDFQMPHHVDNW-UHFFFAOYSA-N
XLogP4.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(2S)-aziridin-2-yl]quinoline
CID 55263274
3-quinolin-3-ylcyclobutan-1-amine
CID 116985150
3-[(2S)-azetidin-2-yl]quinoline
CID 55278758
2-quinolin-3-ylcyclopropane-1-carboxylic acid
CID 67290101
3-(4-ethylcyclohexyl)quinoline
CID 145078390
3-(2,3-dihydro-1H-indol-2-yl)quinoline
CID 65041840
3-(1,2,3,4,5,6-hexahydroisoquinolin-1-yl)quinoline
CID 140531216
1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone
CID 124500175
3-methyl-3-quinolin-3-ylcyclopentan-1-ol
CID 116539964
3-(3-chloro-1-methylcyclopentyl)quinoline
CID 116540254
CID 174439431
CID 174439431
1-(2,2-dimethylcyclopropyl)-N-(quinolin-3-ylmethyl)methanamine
CID 113234893

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylidenespiro[2.3]hexan-2-yl)quinoline?
The IUPAC name of 3-(5-methylidenespiro[2.3]hexan-2-yl)quinoline (CID 166437321) is 3-(5-methylidenespiro[2.3]hexan-2-yl)quinoline.
What is the SMILES notation for 3-(5-methylidenespiro[2.3]hexan-2-yl)quinoline?
The canonical SMILES for 3-(5-methylidenespiro[2.3]hexan-2-yl)quinoline is C=C1CC2(C1)CC2c1cnc2ccccc2c1.
What is the InChIKey of 3-(5-methylidenespiro[2.3]hexan-2-yl)quinoline?
The InChIKey is KUXDFQMPHHVDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-11-7-16(8-11)9-14(16)13-6-12-4-2-3-5-15(12)17-10-13/h2-6,10,14H,1,7-9H2.
What are the key properties of 3-(5-methylidenespiro[2.3]hexan-2-yl)quinoline?
3-(5-methylidenespiro[2.3]hexan-2-yl)quinoline has a molecular weight of 221.30 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylidenespiro[2.3]hexan-2-yl)quinoline is sourced from PubChem (CID 166437321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).