2-ethenyl-1-naphthalen-1-ylpyrrolidine

C16H17N — CID 164888024

IUPAC2-ethenyl-1-naphthalen-1-ylpyrrolidine
SMILESC=CC1CCCN1c1cccc2ccccc12
InChIInChI=1S/C16H17N/c1-2-14-9-6-12-17(14)16-11-5-8-13-7-3-4-10-15(13)16/h2-5,7-8,10-11,14H,1,6,9,12H2
InChIKeyDBQFOPOKVNLKER-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.99
Rot. Bonds2

About 2-ethenyl-1-naphthalen-1-ylpyrrolidine

2-ethenyl-1-naphthalen-1-ylpyrrolidine (PubChem CID 164888024) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-ethenyl-1-naphthalen-1-ylpyrrolidine.

Molecular Properties

Compound Name2-ethenyl-1-naphthalen-1-ylpyrrolidine
PubChem CID164888024
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-ethenyl-1-naphthalen-1-ylpyrrolidine
SMILESC=CC1CCCN1c1cccc2ccccc12
InChIInChI=1S/C16H17N/c1-2-14-9-6-12-17(14)16-11-5-8-13-7-3-4-10-15(13)16/h2-5,7-8,10-11,14H,1,6,9,12H2
InChIKeyDBQFOPOKVNLKER-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.99
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

(2S)-1-naphthalen-1-yl-2-(trifluoromethyl)pyrrolidine
CID 86337138
8-(2-ethenylpyrrolidin-1-yl)-1,7-naphthyridine
CID 167966111
2-naphthalen-1-yl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 61371935
1-(1H-indol-3-yl)pyrrolidine-2-carbaldehyde
CID 174747478
[(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol
CID 139951713
(2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid
CID 67245808
2-naphthalen-1-yl-1-[(2-naphthalen-1-ylpyrrolidin-1-yl)methyl]pyrrolidine
CID 143922780
2-naphthalen-1-yl-7-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 24734210
(2S)-1-phenylpyrrolidine-2-carbaldehyde
CID 173110062
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758703
12,12-dimethyl-9,10,11,11a-tetrahydro-8H-naphtho[1,2-b]indolizine
CID 102457842
2-methyl-1-[(3-prop-2-enylphenyl)methyl]pyrrolidine
CID 165444484

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-naphthalen-1-ylpyrrolidine?
The IUPAC name of 2-ethenyl-1-naphthalen-1-ylpyrrolidine (CID 164888024) is 2-ethenyl-1-naphthalen-1-ylpyrrolidine.
What is the SMILES notation for 2-ethenyl-1-naphthalen-1-ylpyrrolidine?
The canonical SMILES for 2-ethenyl-1-naphthalen-1-ylpyrrolidine is C=CC1CCCN1c1cccc2ccccc12.
What is the InChIKey of 2-ethenyl-1-naphthalen-1-ylpyrrolidine?
The InChIKey is DBQFOPOKVNLKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-2-14-9-6-12-17(14)16-11-5-8-13-7-3-4-10-15(13)16/h2-5,7-8,10-11,14H,1,6,9,12H2.
What are the key properties of 2-ethenyl-1-naphthalen-1-ylpyrrolidine?
2-ethenyl-1-naphthalen-1-ylpyrrolidine has a molecular weight of 223.32 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-naphthalen-1-ylpyrrolidine is sourced from PubChem (CID 164888024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).