ethane;5-methyl-6-prop-1-en-2-ylpyridin-3-ol

C11H17NO — CID 142461021

IUPACethane;5-methyl-6-prop-1-en-2-ylpyridin-3-ol
SMILESC=C(C)c1ncc(O)cc1C.CC
InChIInChI=1S/C9H11NO.C2H6/c1-6(2)9-7(3)4-8(11)5-10-9;1-2/h4-5,11H,1H2,2-3H3;1-2H3
InChIKeyKUGRVQKMQABVLB-UHFFFAOYSA-N
MW179.26 g/mol
LogP3.15
Rot. Bonds1

About ethane;5-methyl-6-prop-1-en-2-ylpyridin-3-ol

ethane;5-methyl-6-prop-1-en-2-ylpyridin-3-ol (PubChem CID 142461021) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is ethane;5-methyl-6-prop-1-en-2-ylpyridin-3-ol.

Molecular Properties

Compound Nameethane;5-methyl-6-prop-1-en-2-ylpyridin-3-ol
PubChem CID142461021
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Nameethane;5-methyl-6-prop-1-en-2-ylpyridin-3-ol
SMILESC=C(C)c1ncc(O)cc1C.CC
InChIInChI=1S/C9H11NO.C2H6/c1-6(2)9-7(3)4-8(11)5-10-9;1-2/h4-5,11H,1H2,2-3H3;1-2H3
InChIKeyKUGRVQKMQABVLB-UHFFFAOYSA-N
XLogP3.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-6-prop-1-en-2-ylpyridin-3-ol?
The IUPAC name of ethane;5-methyl-6-prop-1-en-2-ylpyridin-3-ol (CID 142461021) is ethane;5-methyl-6-prop-1-en-2-ylpyridin-3-ol.
What is the SMILES notation for ethane;5-methyl-6-prop-1-en-2-ylpyridin-3-ol?
The canonical SMILES for ethane;5-methyl-6-prop-1-en-2-ylpyridin-3-ol is C=C(C)c1ncc(O)cc1C.CC.
What is the InChIKey of ethane;5-methyl-6-prop-1-en-2-ylpyridin-3-ol?
The InChIKey is KUGRVQKMQABVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C2H6/c1-6(2)9-7(3)4-8(11)5-10-9;1-2/h4-5,11H,1H2,2-3H3;1-2H3.
What are the key properties of ethane;5-methyl-6-prop-1-en-2-ylpyridin-3-ol?
ethane;5-methyl-6-prop-1-en-2-ylpyridin-3-ol has a molecular weight of 179.26 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-6-prop-1-en-2-ylpyridin-3-ol is sourced from PubChem (CID 142461021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).