1-[4-(5-methyl-2-pyridinyl)cyclohexyl]pyrrol-3-ol

C16H20N2O — CID 141093175

IUPAC1-[4-(5-methyl-2-pyridinyl)cyclohexyl]pyrrol-3-ol
SMILESCc1ccc(C2CCC(n3ccc(O)c3)CC2)nc1
InChIInChI=1S/C16H20N2O/c1-12-2-7-16(17-10-12)13-3-5-14(6-4-13)18-9-8-15(19)11-18/h2,7-11,13-14,19H,3-6H2,1H3
InChIKeyABFZYLSIWNNTID-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.80
Rot. Bonds2

About 1-[4-(5-methyl-2-pyridinyl)cyclohexyl]pyrrol-3-ol

1-[4-(5-methyl-2-pyridinyl)cyclohexyl]pyrrol-3-ol (PubChem CID 141093175) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[4-(5-methyl-2-pyridinyl)cyclohexyl]pyrrol-3-ol.

Molecular Properties

Compound Name1-[4-(5-methyl-2-pyridinyl)cyclohexyl]pyrrol-3-ol
PubChem CID141093175
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[4-(5-methyl-2-pyridinyl)cyclohexyl]pyrrol-3-ol
SMILESCc1ccc(C2CCC(n3ccc(O)c3)CC2)nc1
InChIInChI=1S/C16H20N2O/c1-12-2-7-16(17-10-12)13-3-5-14(6-4-13)18-9-8-15(19)11-18/h2,7-11,13-14,19H,3-6H2,1H3
InChIKeyABFZYLSIWNNTID-UHFFFAOYSA-N
XLogP3.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-2-pyridinyl)cyclohexyl]pyrrol-3-ol?
The IUPAC name of 1-[4-(5-methyl-2-pyridinyl)cyclohexyl]pyrrol-3-ol (CID 141093175) is 1-[4-(5-methyl-2-pyridinyl)cyclohexyl]pyrrol-3-ol.
What is the SMILES notation for 1-[4-(5-methyl-2-pyridinyl)cyclohexyl]pyrrol-3-ol?
The canonical SMILES for 1-[4-(5-methyl-2-pyridinyl)cyclohexyl]pyrrol-3-ol is Cc1ccc(C2CCC(n3ccc(O)c3)CC2)nc1.
What is the InChIKey of 1-[4-(5-methyl-2-pyridinyl)cyclohexyl]pyrrol-3-ol?
The InChIKey is ABFZYLSIWNNTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-2-7-16(17-10-12)13-3-5-14(6-4-13)18-9-8-15(19)11-18/h2,7-11,13-14,19H,3-6H2,1H3.
What are the key properties of 1-[4-(5-methyl-2-pyridinyl)cyclohexyl]pyrrol-3-ol?
1-[4-(5-methyl-2-pyridinyl)cyclohexyl]pyrrol-3-ol has a molecular weight of 256.35 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-2-pyridinyl)cyclohexyl]pyrrol-3-ol is sourced from PubChem (CID 141093175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).