3-(4-methyl-3-pyridinyl)cyclohept-2-en-1-ol

C13H17NO — CID 107383540

IUPAC3-(4-methyl-3-pyridinyl)cyclohept-2-en-1-ol
SMILESCc1ccncc1C1=CC(O)CCCC1
InChIInChI=1S/C13H17NO/c1-10-6-7-14-9-13(10)11-4-2-3-5-12(15)8-11/h6-9,12,15H,2-5H2,1H3
InChIKeyDVQJIECXSQBRDN-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.71
Rot. Bonds1

About 3-(4-methyl-3-pyridinyl)cyclohept-2-en-1-ol

3-(4-methyl-3-pyridinyl)cyclohept-2-en-1-ol (PubChem CID 107383540) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(4-methyl-3-pyridinyl)cyclohept-2-en-1-ol.

Molecular Properties

Compound Name3-(4-methyl-3-pyridinyl)cyclohept-2-en-1-ol
PubChem CID107383540
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-(4-methyl-3-pyridinyl)cyclohept-2-en-1-ol
SMILESCc1ccncc1C1=CC(O)CCCC1
InChIInChI=1S/C13H17NO/c1-10-6-7-14-9-13(10)11-4-2-3-5-12(15)8-11/h6-9,12,15H,2-5H2,1H3
InChIKeyDVQJIECXSQBRDN-UHFFFAOYSA-N
XLogP2.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3-pyridinyl)cyclohept-2-en-1-ol?
The IUPAC name of 3-(4-methyl-3-pyridinyl)cyclohept-2-en-1-ol (CID 107383540) is 3-(4-methyl-3-pyridinyl)cyclohept-2-en-1-ol.
What is the SMILES notation for 3-(4-methyl-3-pyridinyl)cyclohept-2-en-1-ol?
The canonical SMILES for 3-(4-methyl-3-pyridinyl)cyclohept-2-en-1-ol is Cc1ccncc1C1=CC(O)CCCC1.
What is the InChIKey of 3-(4-methyl-3-pyridinyl)cyclohept-2-en-1-ol?
The InChIKey is DVQJIECXSQBRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-6-7-14-9-13(10)11-4-2-3-5-12(15)8-11/h6-9,12,15H,2-5H2,1H3.
What are the key properties of 3-(4-methyl-3-pyridinyl)cyclohept-2-en-1-ol?
3-(4-methyl-3-pyridinyl)cyclohept-2-en-1-ol has a molecular weight of 203.28 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3-pyridinyl)cyclohept-2-en-1-ol is sourced from PubChem (CID 107383540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).