2-[(5-methyl-3-pyridinyl)methyl]cyclopentan-1-ol

C12H17NO — CID 102878479

IUPAC2-[(5-methyl-3-pyridinyl)methyl]cyclopentan-1-ol
SMILESCc1cncc(CC2CCCC2O)c1
InChIInChI=1S/C12H17NO/c1-9-5-10(8-13-7-9)6-11-3-2-4-12(11)14/h5,7-8,11-12,14H,2-4,6H2,1H3
InChIKeyUSOVNPUXAJGTTJ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.09
Rot. Bonds2

About 2-[(5-methyl-3-pyridinyl)methyl]cyclopentan-1-ol

2-[(5-methyl-3-pyridinyl)methyl]cyclopentan-1-ol (PubChem CID 102878479) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[(5-methyl-3-pyridinyl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(5-methyl-3-pyridinyl)methyl]cyclopentan-1-ol
PubChem CID102878479
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[(5-methyl-3-pyridinyl)methyl]cyclopentan-1-ol
SMILESCc1cncc(CC2CCCC2O)c1
InChIInChI=1S/C12H17NO/c1-9-5-10(8-13-7-9)6-11-3-2-4-12(11)14/h5,7-8,11-12,14H,2-4,6H2,1H3
InChIKeyUSOVNPUXAJGTTJ-UHFFFAOYSA-N
XLogP2.09
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-3-pyridinyl)methyl]cyclopentan-1-ol?
The IUPAC name of 2-[(5-methyl-3-pyridinyl)methyl]cyclopentan-1-ol (CID 102878479) is 2-[(5-methyl-3-pyridinyl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(5-methyl-3-pyridinyl)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(5-methyl-3-pyridinyl)methyl]cyclopentan-1-ol is Cc1cncc(CC2CCCC2O)c1.
What is the InChIKey of 2-[(5-methyl-3-pyridinyl)methyl]cyclopentan-1-ol?
The InChIKey is USOVNPUXAJGTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-5-10(8-13-7-9)6-11-3-2-4-12(11)14/h5,7-8,11-12,14H,2-4,6H2,1H3.
What are the key properties of 2-[(5-methyl-3-pyridinyl)methyl]cyclopentan-1-ol?
2-[(5-methyl-3-pyridinyl)methyl]cyclopentan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-3-pyridinyl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 102878479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).