cyclohexanol;2,5-dimethyl-1H-pyrrole

C12H21NO — CID 145136198

IUPACcyclohexanol;2,5-dimethyl-1H-pyrrole
SMILESCc1ccc(C)[nH]1.OC1CCCCC1
InChIInChI=1S/C6H9N.C6H12O/c1-5-3-4-6(2)7-5;7-6-4-2-1-3-5-6/h3-4,7H,1-2H3;6-7H,1-5H2
InChIKeyAGUYDJVADFHPCI-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.94
Rot. Bonds

About cyclohexanol;2,5-dimethyl-1H-pyrrole

cyclohexanol;2,5-dimethyl-1H-pyrrole (PubChem CID 145136198) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is cyclohexanol;2,5-dimethyl-1H-pyrrole.

Molecular Properties

Compound Namecyclohexanol;2,5-dimethyl-1H-pyrrole
PubChem CID145136198
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namecyclohexanol;2,5-dimethyl-1H-pyrrole
SMILESCc1ccc(C)[nH]1.OC1CCCCC1
InChIInChI=1S/C6H9N.C6H12O/c1-5-3-4-6(2)7-5;7-6-4-2-1-3-5-6/h3-4,7H,1-2H3;6-7H,1-5H2
InChIKeyAGUYDJVADFHPCI-UHFFFAOYSA-N
XLogP2.94
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexanol;2,5-dimethyl-1H-pyrrole?
The IUPAC name of cyclohexanol;2,5-dimethyl-1H-pyrrole (CID 145136198) is cyclohexanol;2,5-dimethyl-1H-pyrrole.
What is the SMILES notation for cyclohexanol;2,5-dimethyl-1H-pyrrole?
The canonical SMILES for cyclohexanol;2,5-dimethyl-1H-pyrrole is Cc1ccc(C)[nH]1.OC1CCCCC1.
What is the InChIKey of cyclohexanol;2,5-dimethyl-1H-pyrrole?
The InChIKey is AGUYDJVADFHPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C6H12O/c1-5-3-4-6(2)7-5;7-6-4-2-1-3-5-6/h3-4,7H,1-2H3;6-7H,1-5H2.
What are the key properties of cyclohexanol;2,5-dimethyl-1H-pyrrole?
cyclohexanol;2,5-dimethyl-1H-pyrrole has a molecular weight of 195.31 g/mol, XLogP of 2.94, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;2,5-dimethyl-1H-pyrrole is sourced from PubChem (CID 145136198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).