ethane;3-phenylpyrrolidine

C12H19N — CID 91032726

IUPACethane;3-phenylpyrrolidine
SMILESCC.c1ccc(C2CCNC2)cc1
InChIInChI=1S/C10H13N.C2H6/c1-2-4-9(5-3-1)10-6-7-11-8-10;1-2/h1-5,10-11H,6-8H2;1-2H3
InChIKeyJWHIHCIQIICJQJ-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.79
Rot. Bonds1

About ethane;3-phenylpyrrolidine

ethane;3-phenylpyrrolidine (PubChem CID 91032726) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is ethane;3-phenylpyrrolidine.

Molecular Properties

Compound Nameethane;3-phenylpyrrolidine
PubChem CID91032726
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Nameethane;3-phenylpyrrolidine
SMILESCC.c1ccc(C2CCNC2)cc1
InChIInChI=1S/C10H13N.C2H6/c1-2-4-9(5-3-1)10-6-7-11-8-10;1-2/h1-5,10-11H,6-8H2;1-2H3
InChIKeyJWHIHCIQIICJQJ-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methanamine;4-phenylpiperidine
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4-phenylpiperidine;sulfane;hydrochloride
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4-phenylazocane
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ethane;1-methyl-4-phenylimidazole;3-phenylpyrrolidine
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butyl formate;3-phenylpyrrolidine
CID 87716907
tert-butyl 3-phenylpyrrolidine-1-carboxylate;ethane;3-phenylpyrrolidine
CID 158730195
(3R,4R)-3,4-diphenylazepane;ethane
CID 123989610
1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea
CID 124566335
(3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride
CID 71742220
3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
(3S)-3-(3-ethylphenyl)pyrrolidine
CID 130943916
3-pyrrolidin-3-ylphenol
CID 12937992

Frequently Asked Questions

What is the IUPAC name of ethane;3-phenylpyrrolidine?
The IUPAC name of ethane;3-phenylpyrrolidine (CID 91032726) is ethane;3-phenylpyrrolidine.
What is the SMILES notation for ethane;3-phenylpyrrolidine?
The canonical SMILES for ethane;3-phenylpyrrolidine is CC.c1ccc(C2CCNC2)cc1.
What is the InChIKey of ethane;3-phenylpyrrolidine?
The InChIKey is JWHIHCIQIICJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C2H6/c1-2-4-9(5-3-1)10-6-7-11-8-10;1-2/h1-5,10-11H,6-8H2;1-2H3.
What are the key properties of ethane;3-phenylpyrrolidine?
ethane;3-phenylpyrrolidine has a molecular weight of 177.29 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-phenylpyrrolidine is sourced from PubChem (CID 91032726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).