1-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]pyrrole

C15H17NO — CID 134951685

IUPAC1-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]pyrrole
SMILESCOc1ccc(Cn2ccc3c2CCC3)cc1
InChIInChI=1S/C15H17NO/c1-17-14-7-5-12(6-8-14)11-16-10-9-13-3-2-4-15(13)16/h5-10H,2-4,11H2,1H3
InChIKeySABPAMFQXHXQIY-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.03
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]pyrrole

1-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]pyrrole (PubChem CID 134951685) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]pyrrole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]pyrrole
PubChem CID134951685
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]pyrrole
SMILESCOc1ccc(Cn2ccc3c2CCC3)cc1
InChIInChI=1S/C15H17NO/c1-17-14-7-5-12(6-8-14)11-16-10-9-13-3-2-4-15(13)16/h5-10H,2-4,11H2,1H3
InChIKeySABPAMFQXHXQIY-UHFFFAOYSA-N
XLogP3.03
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole
CID 130249356
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626601
2-[1-chloro-2-(4-methoxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 63520431
4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 54736914
3-chloro-1-[(4-methoxyphenyl)methyl]pyrrole-2-carbonitrile
CID 153398267
2-[(4-methoxyphenyl)methyl]-1,2-thiazolidine
CID 101352609
2-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123890436
1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
CID 127034647
1-[(4-methoxyphenyl)methyl]indol-7-amine
CID 114935856
2-(4-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
CID 63016751

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]pyrrole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]pyrrole (CID 134951685) is 1-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]pyrrole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]pyrrole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]pyrrole is COc1ccc(Cn2ccc3c2CCC3)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]pyrrole?
The InChIKey is SABPAMFQXHXQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-17-14-7-5-12(6-8-14)11-16-10-9-13-3-2-4-15(13)16/h5-10H,2-4,11H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]pyrrole?
1-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]pyrrole has a molecular weight of 227.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]pyrrole is sourced from PubChem (CID 134951685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).