2,5-dimethyl-6-phenyl-2,3-dihydro-1H-pyrrolizine

C15H17N — CID 76764460

IUPAC2,5-dimethyl-6-phenyl-2,3-dihydro-1H-pyrrolizine
SMILESCc1c(-c2ccccc2)cc2n1CC(C)C2
InChIInChI=1S/C15H17N/c1-11-8-14-9-15(12(2)16(14)10-11)13-6-4-3-5-7-13/h3-7,9,11H,8,10H2,1-2H3
InChIKeyYDJXHIAOVNFMQW-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.66
Rot. Bonds1

About 2,5-dimethyl-6-phenyl-2,3-dihydro-1H-pyrrolizine

2,5-dimethyl-6-phenyl-2,3-dihydro-1H-pyrrolizine (PubChem CID 76764460) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 2,5-dimethyl-6-phenyl-2,3-dihydro-1H-pyrrolizine.

Molecular Properties

Compound Name2,5-dimethyl-6-phenyl-2,3-dihydro-1H-pyrrolizine
PubChem CID76764460
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name2,5-dimethyl-6-phenyl-2,3-dihydro-1H-pyrrolizine
SMILESCc1c(-c2ccccc2)cc2n1CC(C)C2
InChIInChI=1S/C15H17N/c1-11-8-14-9-15(12(2)16(14)10-11)13-6-4-3-5-7-13/h3-7,9,11H,8,10H2,1-2H3
InChIKeyYDJXHIAOVNFMQW-UHFFFAOYSA-N
XLogP3.66
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-phenyl-2,3-dihydro-1H-pyrrolizine?
The IUPAC name of 2,5-dimethyl-6-phenyl-2,3-dihydro-1H-pyrrolizine (CID 76764460) is 2,5-dimethyl-6-phenyl-2,3-dihydro-1H-pyrrolizine.
What is the SMILES notation for 2,5-dimethyl-6-phenyl-2,3-dihydro-1H-pyrrolizine?
The canonical SMILES for 2,5-dimethyl-6-phenyl-2,3-dihydro-1H-pyrrolizine is Cc1c(-c2ccccc2)cc2n1CC(C)C2.
What is the InChIKey of 2,5-dimethyl-6-phenyl-2,3-dihydro-1H-pyrrolizine?
The InChIKey is YDJXHIAOVNFMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-11-8-14-9-15(12(2)16(14)10-11)13-6-4-3-5-7-13/h3-7,9,11H,8,10H2,1-2H3.
What are the key properties of 2,5-dimethyl-6-phenyl-2,3-dihydro-1H-pyrrolizine?
2,5-dimethyl-6-phenyl-2,3-dihydro-1H-pyrrolizine has a molecular weight of 211.31 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-phenyl-2,3-dihydro-1H-pyrrolizine is sourced from PubChem (CID 76764460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).