3-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-7-ol

C12H17NO — CID 90345823

IUPAC3-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-7-ol
SMILESCc1cnc2c(c1)CCC(O)CCC2
InChIInChI=1S/C12H17NO/c1-9-7-10-5-6-11(14)3-2-4-12(10)13-8-9/h7-8,11,14H,2-6H2,1H3
InChIKeyUYRPJRCAFPOOOA-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.02
Rot. Bonds

About 3-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-7-ol

3-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-7-ol (PubChem CID 90345823) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-7-ol.

Molecular Properties

Compound Name3-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-7-ol
PubChem CID90345823
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-7-ol
SMILESCc1cnc2c(c1)CCC(O)CCC2
InChIInChI=1S/C12H17NO/c1-9-7-10-5-6-11(14)3-2-4-12(10)13-8-9/h7-8,11,14H,2-6H2,1H3
InChIKeyUYRPJRCAFPOOOA-UHFFFAOYSA-N
XLogP2.02
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-7-ol?
The IUPAC name of 3-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-7-ol (CID 90345823) is 3-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-7-ol.
What is the SMILES notation for 3-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-7-ol?
The canonical SMILES for 3-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-7-ol is Cc1cnc2c(c1)CCC(O)CCC2.
What is the InChIKey of 3-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-7-ol?
The InChIKey is UYRPJRCAFPOOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-7-10-5-6-11(14)3-2-4-12(10)13-8-9/h7-8,11,14H,2-6H2,1H3.
What are the key properties of 3-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-7-ol?
3-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-7-ol has a molecular weight of 191.27 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-7-ol is sourced from PubChem (CID 90345823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).