2-cyclohexyl-1H-pyrrol-3-ol;hydrochloride

C10H16ClNO — CID 141395113

IUPAC2-cyclohexyl-1H-pyrrol-3-ol;hydrochloride
SMILESCl.Oc1cc[nH]c1C1CCCCC1
InChIInChI=1S/C10H15NO.ClH/c12-9-6-7-11-10(9)8-4-2-1-3-5-8;/h6-8,11-12H,1-5H2;1H
InChIKeyNIBMVPKSPBGQOZ-UHFFFAOYSA-N
MW201.70 g/mol
LogP3.19
Rot. Bonds1

About 2-cyclohexyl-1H-pyrrol-3-ol;hydrochloride

2-cyclohexyl-1H-pyrrol-3-ol;hydrochloride (PubChem CID 141395113) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-cyclohexyl-1H-pyrrol-3-ol;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-1H-pyrrol-3-ol;hydrochloride
PubChem CID141395113
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name2-cyclohexyl-1H-pyrrol-3-ol;hydrochloride
SMILESCl.Oc1cc[nH]c1C1CCCCC1
InChIInChI=1S/C10H15NO.ClH/c12-9-6-7-11-10(9)8-4-2-1-3-5-8;/h6-8,11-12H,1-5H2;1H
InChIKeyNIBMVPKSPBGQOZ-UHFFFAOYSA-N
XLogP3.19
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1H-pyrrol-3-ol;hydrochloride?
The IUPAC name of 2-cyclohexyl-1H-pyrrol-3-ol;hydrochloride (CID 141395113) is 2-cyclohexyl-1H-pyrrol-3-ol;hydrochloride.
What is the SMILES notation for 2-cyclohexyl-1H-pyrrol-3-ol;hydrochloride?
The canonical SMILES for 2-cyclohexyl-1H-pyrrol-3-ol;hydrochloride is Cl.Oc1cc[nH]c1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1H-pyrrol-3-ol;hydrochloride?
The InChIKey is NIBMVPKSPBGQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c12-9-6-7-11-10(9)8-4-2-1-3-5-8;/h6-8,11-12H,1-5H2;1H.
What are the key properties of 2-cyclohexyl-1H-pyrrol-3-ol;hydrochloride?
2-cyclohexyl-1H-pyrrol-3-ol;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1H-pyrrol-3-ol;hydrochloride is sourced from PubChem (CID 141395113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).