2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

C17H21NO — CID 83208249

IUPAC2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESCc1ccc(Cn2cc3c(c2)C(O)CCCC3)cc1
InChIInChI=1S/C17H21NO/c1-13-6-8-14(9-7-13)10-18-11-15-4-2-3-5-17(19)16(15)12-18/h6-9,11-12,17,19H,2-5,10H2,1H3
InChIKeyFACXVNPMGJZTJZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.60
Rot. Bonds2

About 2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (PubChem CID 83208249) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
PubChem CID83208249
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESCc1ccc(Cn2cc3c(c2)C(O)CCCC3)cc1
InChIInChI=1S/C17H21NO/c1-13-6-8-14(9-7-13)10-18-11-15-4-2-3-5-17(19)16(15)12-18/h6-9,11-12,17,19H,2-5,10H2,1H3
InChIKeyFACXVNPMGJZTJZ-UHFFFAOYSA-N
XLogP3.60
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The IUPAC name of 2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (CID 83208249) is 2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is Cc1ccc(Cn2cc3c(c2)C(O)CCCC3)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The InChIKey is FACXVNPMGJZTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-6-8-14(9-7-13)10-18-11-15-4-2-3-5-17(19)16(15)12-18/h6-9,11-12,17,19H,2-5,10H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol has a molecular weight of 255.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is sourced from PubChem (CID 83208249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).