2-[(4,7-dimethyl-1H-indol-3-yl)methyl]cyclopentan-1-ol

C16H21NO — CID 84630911

IUPAC2-[(4,7-dimethyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
SMILESCc1ccc(C)c2c(CC3CCCC3O)c[nH]c12
InChIInChI=1S/C16H21NO/c1-10-6-7-11(2)16-15(10)13(9-17-16)8-12-4-3-5-14(12)18/h6-7,9,12,14,17-18H,3-5,8H2,1-2H3
InChIKeyYYOBDXQIFAMAQS-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.49
Rot. Bonds2

About 2-[(4,7-dimethyl-1H-indol-3-yl)methyl]cyclopentan-1-ol

2-[(4,7-dimethyl-1H-indol-3-yl)methyl]cyclopentan-1-ol (PubChem CID 84630911) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[(4,7-dimethyl-1H-indol-3-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(4,7-dimethyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
PubChem CID84630911
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-[(4,7-dimethyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
SMILESCc1ccc(C)c2c(CC3CCCC3O)c[nH]c12
InChIInChI=1S/C16H21NO/c1-10-6-7-11(2)16-15(10)13(9-17-16)8-12-4-3-5-14(12)18/h6-7,9,12,14,17-18H,3-5,8H2,1-2H3
InChIKeyYYOBDXQIFAMAQS-UHFFFAOYSA-N
XLogP3.49
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,7-dimethyl-1H-indol-3-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 2-[(4,7-dimethyl-1H-indol-3-yl)methyl]cyclopentan-1-ol (CID 84630911) is 2-[(4,7-dimethyl-1H-indol-3-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(4,7-dimethyl-1H-indol-3-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(4,7-dimethyl-1H-indol-3-yl)methyl]cyclopentan-1-ol is Cc1ccc(C)c2c(CC3CCCC3O)c[nH]c12.
What is the InChIKey of 2-[(4,7-dimethyl-1H-indol-3-yl)methyl]cyclopentan-1-ol?
The InChIKey is YYOBDXQIFAMAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-10-6-7-11(2)16-15(10)13(9-17-16)8-12-4-3-5-14(12)18/h6-7,9,12,14,17-18H,3-5,8H2,1-2H3.
What are the key properties of 2-[(4,7-dimethyl-1H-indol-3-yl)methyl]cyclopentan-1-ol?
2-[(4,7-dimethyl-1H-indol-3-yl)methyl]cyclopentan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,7-dimethyl-1H-indol-3-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 84630911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).