3-[2-(oxolan-3-yl)phenyl]pyrrolidine

C14H19NO — CID 83836153

IUPAC3-[2-(oxolan-3-yl)phenyl]pyrrolidine
SMILESc1ccc(C2CCOC2)c(C2CCNC2)c1
InChIInChI=1S/C14H19NO/c1-2-4-14(12-6-8-16-10-12)13(3-1)11-5-7-15-9-11/h1-4,11-12,15H,5-10H2
InChIKeyKLJYWUKFZVPBKP-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.27
Rot. Bonds2

About 3-[2-(oxolan-3-yl)phenyl]pyrrolidine

3-[2-(oxolan-3-yl)phenyl]pyrrolidine (PubChem CID 83836153) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[2-(oxolan-3-yl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(oxolan-3-yl)phenyl]pyrrolidine
PubChem CID83836153
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-[2-(oxolan-3-yl)phenyl]pyrrolidine
SMILESc1ccc(C2CCOC2)c(C2CCNC2)c1
InChIInChI=1S/C14H19NO/c1-2-4-14(12-6-8-16-10-12)13(3-1)11-5-7-15-9-11/h1-4,11-12,15H,5-10H2
InChIKeyKLJYWUKFZVPBKP-UHFFFAOYSA-N
XLogP2.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
9-(oxolan-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 25012376
2-pyrrolidin-3-ylaniline;dihydrochloride
CID 139593328
(3S)-3-(2-nitrophenyl)pyrrolidine
CID 95436908
3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine
CID 117418869
4-[2-[(3R)-oxolan-3-yl]oxyphenyl]piperidine
CID 156722278
4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 115025819
3-[2-(fluoromethyl)phenyl]pyrrolidine
CID 84657076
3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
CID 82602979
2-(oxolan-3-yl)benzoic acid
CID 83830028
(3R)-3-phenyloxolane
CID 92859476
N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982525

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxolan-3-yl)phenyl]pyrrolidine?
The IUPAC name of 3-[2-(oxolan-3-yl)phenyl]pyrrolidine (CID 83836153) is 3-[2-(oxolan-3-yl)phenyl]pyrrolidine.
What is the SMILES notation for 3-[2-(oxolan-3-yl)phenyl]pyrrolidine?
The canonical SMILES for 3-[2-(oxolan-3-yl)phenyl]pyrrolidine is c1ccc(C2CCOC2)c(C2CCNC2)c1.
What is the InChIKey of 3-[2-(oxolan-3-yl)phenyl]pyrrolidine?
The InChIKey is KLJYWUKFZVPBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-4-14(12-6-8-16-10-12)13(3-1)11-5-7-15-9-11/h1-4,11-12,15H,5-10H2.
What are the key properties of 3-[2-(oxolan-3-yl)phenyl]pyrrolidine?
3-[2-(oxolan-3-yl)phenyl]pyrrolidine has a molecular weight of 217.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxolan-3-yl)phenyl]pyrrolidine is sourced from PubChem (CID 83836153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).