(7Z,9Z)-2-methyl-5,6-dihydrocycloocta[b]pyridine

C12H13N — CID 144649768

IUPAC(7Z,9Z)-2-methyl-5,6-dihydrocycloocta[b]pyridine
SMILESCc1ccc2c(n1)/C=C\C=C/CC2
InChIInChI=1S/C12H13N/c1-10-8-9-11-6-4-2-3-5-7-12(11)13-10/h2-3,5,7-9H,4,6H2,1H3/b3-2-,7-5-
InChIKeyDYZXZNOKZGFKDR-ZSBGFAJOSA-N
MW171.24 g/mol
LogP2.91
Rot. Bonds

About (7Z,9Z)-2-methyl-5,6-dihydrocycloocta[b]pyridine

(7Z,9Z)-2-methyl-5,6-dihydrocycloocta[b]pyridine (PubChem CID 144649768) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is (7Z,9Z)-2-methyl-5,6-dihydrocycloocta[b]pyridine.

Molecular Properties

Compound Name(7Z,9Z)-2-methyl-5,6-dihydrocycloocta[b]pyridine
PubChem CID144649768
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name(7Z,9Z)-2-methyl-5,6-dihydrocycloocta[b]pyridine
SMILESCc1ccc2c(n1)/C=C\C=C/CC2
InChIInChI=1S/C12H13N/c1-10-8-9-11-6-4-2-3-5-7-12(11)13-10/h2-3,5,7-9H,4,6H2,1H3/b3-2-,7-5-
InChIKeyDYZXZNOKZGFKDR-ZSBGFAJOSA-N
XLogP2.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7Z,9Z)-2-methyl-5,6-dihydrocycloocta[b]pyridine?
The IUPAC name of (7Z,9Z)-2-methyl-5,6-dihydrocycloocta[b]pyridine (CID 144649768) is (7Z,9Z)-2-methyl-5,6-dihydrocycloocta[b]pyridine.
What is the SMILES notation for (7Z,9Z)-2-methyl-5,6-dihydrocycloocta[b]pyridine?
The canonical SMILES for (7Z,9Z)-2-methyl-5,6-dihydrocycloocta[b]pyridine is Cc1ccc2c(n1)/C=C\C=C/CC2.
What is the InChIKey of (7Z,9Z)-2-methyl-5,6-dihydrocycloocta[b]pyridine?
The InChIKey is DYZXZNOKZGFKDR-ZSBGFAJOSA-N. The full InChI is InChI=1S/C12H13N/c1-10-8-9-11-6-4-2-3-5-7-12(11)13-10/h2-3,5,7-9H,4,6H2,1H3/b3-2-,7-5-.
What are the key properties of (7Z,9Z)-2-methyl-5,6-dihydrocycloocta[b]pyridine?
(7Z,9Z)-2-methyl-5,6-dihydrocycloocta[b]pyridine has a molecular weight of 171.24 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9Z)-2-methyl-5,6-dihydrocycloocta[b]pyridine is sourced from PubChem (CID 144649768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).