4-[(2,5-dimethylpyrrol-1-yl)methyl]cyclohexan-1-ol

C13H21NO — CID 106131776

IUPAC4-[(2,5-dimethylpyrrol-1-yl)methyl]cyclohexan-1-ol
SMILESCc1ccc(C)n1CC1CCC(O)CC1
InChIInChI=1S/C13H21NO/c1-10-3-4-11(2)14(10)9-12-5-7-13(15)8-6-12/h3-4,12-13,15H,5-9H2,1-2H3
InChIKeyKMLNKJQQBWBXCZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.66
Rot. Bonds2

About 4-[(2,5-dimethylpyrrol-1-yl)methyl]cyclohexan-1-ol

4-[(2,5-dimethylpyrrol-1-yl)methyl]cyclohexan-1-ol (PubChem CID 106131776) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrrol-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrrol-1-yl)methyl]cyclohexan-1-ol
PubChem CID106131776
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[(2,5-dimethylpyrrol-1-yl)methyl]cyclohexan-1-ol
SMILESCc1ccc(C)n1CC1CCC(O)CC1
InChIInChI=1S/C13H21NO/c1-10-3-4-11(2)14(10)9-12-5-7-13(15)8-6-12/h3-4,12-13,15H,5-9H2,1-2H3
InChIKeyKMLNKJQQBWBXCZ-UHFFFAOYSA-N
XLogP2.66
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylpyrrol-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(2,5-dimethylpyrrol-1-yl)methyl]cyclohexan-1-ol (CID 106131776) is 4-[(2,5-dimethylpyrrol-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2,5-dimethylpyrrol-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(2,5-dimethylpyrrol-1-yl)methyl]cyclohexan-1-ol is Cc1ccc(C)n1CC1CCC(O)CC1.
What is the InChIKey of 4-[(2,5-dimethylpyrrol-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is KMLNKJQQBWBXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-3-4-11(2)14(10)9-12-5-7-13(15)8-6-12/h3-4,12-13,15H,5-9H2,1-2H3.
What are the key properties of 4-[(2,5-dimethylpyrrol-1-yl)methyl]cyclohexan-1-ol?
4-[(2,5-dimethylpyrrol-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylpyrrol-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106131776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).