(1R)-2-(2-methylpyrrol-1-yl)cyclohexan-1-ol

C11H17NO — CID 146559384

IUPAC(1R)-2-(2-methylpyrrol-1-yl)cyclohexan-1-ol
SMILESCc1cccn1C1CCCC[C@H]1O
InChIInChI=1S/C11H17NO/c1-9-5-4-8-12(9)10-6-2-3-7-11(10)13/h4-5,8,10-11,13H,2-3,6-7H2,1H3/t10?,11-/m1/s1
InChIKeyQBTGJDGGHFHVEZ-RRKGBCIJSA-N
MW179.26 g/mol
LogP2.27
Rot. Bonds1

About (1R)-2-(2-methylpyrrol-1-yl)cyclohexan-1-ol

(1R)-2-(2-methylpyrrol-1-yl)cyclohexan-1-ol (PubChem CID 146559384) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1R)-2-(2-methylpyrrol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R)-2-(2-methylpyrrol-1-yl)cyclohexan-1-ol
PubChem CID146559384
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1R)-2-(2-methylpyrrol-1-yl)cyclohexan-1-ol
SMILESCc1cccn1C1CCCC[C@H]1O
InChIInChI=1S/C11H17NO/c1-9-5-4-8-12(9)10-6-2-3-7-11(10)13/h4-5,8,10-11,13H,2-3,6-7H2,1H3/t10?,11-/m1/s1
InChIKeyQBTGJDGGHFHVEZ-RRKGBCIJSA-N
XLogP2.27
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2-methylpyrrol-1-yl)cyclohexan-1-ol?
The IUPAC name of (1R)-2-(2-methylpyrrol-1-yl)cyclohexan-1-ol (CID 146559384) is (1R)-2-(2-methylpyrrol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for (1R)-2-(2-methylpyrrol-1-yl)cyclohexan-1-ol?
The canonical SMILES for (1R)-2-(2-methylpyrrol-1-yl)cyclohexan-1-ol is Cc1cccn1C1CCCC[C@H]1O.
What is the InChIKey of (1R)-2-(2-methylpyrrol-1-yl)cyclohexan-1-ol?
The InChIKey is QBTGJDGGHFHVEZ-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-5-4-8-12(9)10-6-2-3-7-11(10)13/h4-5,8,10-11,13H,2-3,6-7H2,1H3/t10?,11-/m1/s1.
What are the key properties of (1R)-2-(2-methylpyrrol-1-yl)cyclohexan-1-ol?
(1R)-2-(2-methylpyrrol-1-yl)cyclohexan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2-methylpyrrol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 146559384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).