3-(1,2-dihydronaphthalen-1-yl)pyrrolidine

C14H17N — CID 19043208

IUPAC3-(1,2-dihydronaphthalen-1-yl)pyrrolidine
SMILESC1=Cc2ccccc2C(C2CCNC2)C1
InChIInChI=1S/C14H17N/c1-2-6-13-11(4-1)5-3-7-14(13)12-8-9-15-10-12/h1-6,12,14-15H,7-10H2
InChIKeyYROQNIFOSYXJPV-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.80
Rot. Bonds1

About 3-(1,2-dihydronaphthalen-1-yl)pyrrolidine

3-(1,2-dihydronaphthalen-1-yl)pyrrolidine (PubChem CID 19043208) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-(1,2-dihydronaphthalen-1-yl)pyrrolidine.

Molecular Properties

Compound Name3-(1,2-dihydronaphthalen-1-yl)pyrrolidine
PubChem CID19043208
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name3-(1,2-dihydronaphthalen-1-yl)pyrrolidine
SMILESC1=Cc2ccccc2C(C2CCNC2)C1
InChIInChI=1S/C14H17N/c1-2-6-13-11(4-1)5-3-7-14(13)12-8-9-15-10-12/h1-6,12,14-15H,7-10H2
InChIKeyYROQNIFOSYXJPV-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1,2-dihydronaphthalen-1-ylphosphane
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(3R)-3-(2-bromophenyl)pyrrolidine
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1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydronaphthalen-1-yl)pyrrolidine?
The IUPAC name of 3-(1,2-dihydronaphthalen-1-yl)pyrrolidine (CID 19043208) is 3-(1,2-dihydronaphthalen-1-yl)pyrrolidine.
What is the SMILES notation for 3-(1,2-dihydronaphthalen-1-yl)pyrrolidine?
The canonical SMILES for 3-(1,2-dihydronaphthalen-1-yl)pyrrolidine is C1=Cc2ccccc2C(C2CCNC2)C1.
What is the InChIKey of 3-(1,2-dihydronaphthalen-1-yl)pyrrolidine?
The InChIKey is YROQNIFOSYXJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-2-6-13-11(4-1)5-3-7-14(13)12-8-9-15-10-12/h1-6,12,14-15H,7-10H2.
What are the key properties of 3-(1,2-dihydronaphthalen-1-yl)pyrrolidine?
3-(1,2-dihydronaphthalen-1-yl)pyrrolidine has a molecular weight of 199.30 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydronaphthalen-1-yl)pyrrolidine is sourced from PubChem (CID 19043208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).