(5R,8S)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol

C12H17NO — CID 56930756

IUPAC(5R,8S)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol
SMILESCc1ccc2c(n1)C[C@@H](O)CC[C@H]2C
InChIInChI=1S/C12H17NO/c1-8-3-5-10(14)7-12-11(8)6-4-9(2)13-12/h4,6,8,10,14H,3,5,7H2,1-2H3/t8-,10+/m1/s1
InChIKeyMMUVMQBKPYDMKS-SCZZXKLOSA-N
MW191.27 g/mol
LogP2.19
Rot. Bonds

About (5R,8S)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol

(5R,8S)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol (PubChem CID 56930756) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (5R,8S)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol.

Molecular Properties

Compound Name(5R,8S)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol
PubChem CID56930756
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(5R,8S)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol
SMILESCc1ccc2c(n1)C[C@@H](O)CC[C@H]2C
InChIInChI=1S/C12H17NO/c1-8-3-5-10(14)7-12-11(8)6-4-9(2)13-12/h4,6,8,10,14H,3,5,7H2,1-2H3/t8-,10+/m1/s1
InChIKeyMMUVMQBKPYDMKS-SCZZXKLOSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,8S)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol?
The IUPAC name of (5R,8S)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol (CID 56930756) is (5R,8S)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol.
What is the SMILES notation for (5R,8S)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol?
The canonical SMILES for (5R,8S)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol is Cc1ccc2c(n1)C[C@@H](O)CC[C@H]2C.
What is the InChIKey of (5R,8S)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol?
The InChIKey is MMUVMQBKPYDMKS-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-3-5-10(14)7-12-11(8)6-4-9(2)13-12/h4,6,8,10,14H,3,5,7H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of (5R,8S)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol?
(5R,8S)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol has a molecular weight of 191.27 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8S)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol is sourced from PubChem (CID 56930756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).