1,3-dimethyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-ol

C15H17NO — CID 23456191

IUPAC1,3-dimethyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-ol
SMILESCc1c2c(c(C)n1-c1ccccc1)C(O)CC2
InChIInChI=1S/C15H17NO/c1-10-13-8-9-14(17)15(13)11(2)16(10)12-6-4-3-5-7-12/h3-7,14,17H,8-9H2,1-2H3
InChIKeyRHEXWAACADKWCO-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.07
Rot. Bonds1

About 1,3-dimethyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-ol

1,3-dimethyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-ol (PubChem CID 23456191) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1,3-dimethyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name1,3-dimethyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-ol
PubChem CID23456191
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1,3-dimethyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-ol
SMILESCc1c2c(c(C)n1-c1ccccc1)C(O)CC2
InChIInChI=1S/C15H17NO/c1-10-13-8-9-14(17)15(13)11(2)16(10)12-6-4-3-5-7-12/h3-7,14,17H,8-9H2,1-2H3
InChIKeyRHEXWAACADKWCO-UHFFFAOYSA-N
XLogP3.07
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 1,3-dimethyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-ol (CID 23456191) is 1,3-dimethyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 1,3-dimethyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 1,3-dimethyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-ol is Cc1c2c(c(C)n1-c1ccccc1)C(O)CC2.
What is the InChIKey of 1,3-dimethyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is RHEXWAACADKWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-13-8-9-14(17)15(13)11(2)16(10)12-6-4-3-5-7-12/h3-7,14,17H,8-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-ol?
1,3-dimethyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 227.31 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 23456191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).