(2Z)-3-methyl-1-azacycloocta-2,5,6,8-tetraene

C8H9N — CID 89331089

IUPAC(2Z)-3-methyl-1-azacycloocta-2,5,6,8-tetraene
SMILESC/C1=C/N=C\C=C=CC1
InChIInChI=1S/C8H9N/c1-8-5-3-2-4-6-9-7-8/h3-4,6-7H,5H2,1H3/b8-7-,9-6-
InChIKeyHRTFTDNQTNBDHO-QOCNPQIPSA-N
MW119.17 g/mol
LogP2.08
Rot. Bonds

About (2Z)-3-methyl-1-azacycloocta-2,5,6,8-tetraene

(2Z)-3-methyl-1-azacycloocta-2,5,6,8-tetraene (PubChem CID 89331089) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is (2Z)-3-methyl-1-azacycloocta-2,5,6,8-tetraene.

Molecular Properties

Compound Name(2Z)-3-methyl-1-azacycloocta-2,5,6,8-tetraene
PubChem CID89331089
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name(2Z)-3-methyl-1-azacycloocta-2,5,6,8-tetraene
SMILESC/C1=C/N=C\C=C=CC1
InChIInChI=1S/C8H9N/c1-8-5-3-2-4-6-9-7-8/h3-4,6-7H,5H2,1H3/b8-7-,9-6-
InChIKeyHRTFTDNQTNBDHO-QOCNPQIPSA-N
XLogP2.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-methyl-1-azacycloocta-2,5,6,8-tetraene?
The IUPAC name of (2Z)-3-methyl-1-azacycloocta-2,5,6,8-tetraene (CID 89331089) is (2Z)-3-methyl-1-azacycloocta-2,5,6,8-tetraene.
What is the SMILES notation for (2Z)-3-methyl-1-azacycloocta-2,5,6,8-tetraene?
The canonical SMILES for (2Z)-3-methyl-1-azacycloocta-2,5,6,8-tetraene is C/C1=C/N=C\C=C=CC1.
What is the InChIKey of (2Z)-3-methyl-1-azacycloocta-2,5,6,8-tetraene?
The InChIKey is HRTFTDNQTNBDHO-QOCNPQIPSA-N. The full InChI is InChI=1S/C8H9N/c1-8-5-3-2-4-6-9-7-8/h3-4,6-7H,5H2,1H3/b8-7-,9-6-.
What are the key properties of (2Z)-3-methyl-1-azacycloocta-2,5,6,8-tetraene?
(2Z)-3-methyl-1-azacycloocta-2,5,6,8-tetraene has a molecular weight of 119.17 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-methyl-1-azacycloocta-2,5,6,8-tetraene is sourced from PubChem (CID 89331089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).