(5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine

C11H16N2 — CID 90785170

IUPAC(5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine
SMILESCC1CCC/C=C\C2=NCCN=C21
InChIInChI=1S/C11H16N2/c1-9-5-3-2-4-6-10-11(9)13-8-7-12-10/h4,6,9H,2-3,5,7-8H2,1H3/b6-4-
InChIKeyLICPWLYMEHKNPW-XQRVVYSFSA-N
MW176.26 g/mol
LogP2.26
Rot. Bonds

About (5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine

(5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine (PubChem CID 90785170) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine.

Molecular Properties

Compound Name(5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine
PubChem CID90785170
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine
SMILESCC1CCC/C=C\C2=NCCN=C21
InChIInChI=1S/C11H16N2/c1-9-5-3-2-4-6-10-11(9)13-8-7-12-10/h4,6,9H,2-3,5,7-8H2,1H3/b6-4-
InChIKeyLICPWLYMEHKNPW-XQRVVYSFSA-N
XLogP2.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine
CID 57124859
5-cyclohexyl-3-methyl-2H-pyrrole
CID 59087183
(11S)-3,11-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 68247545
6-(3-Methylbutan-2-yl)-2,3-dihydropyridine
CID 91073798
N-methyl-4-propylcyclooct-2-en-1-imine
CID 91309615
4-butyl-N-methylcyclohex-2-en-1-imine
CID 91428157
2-ethanimidoyl-3-N-(3-methylbutan-2-yl)cyclohept-4-ene-1,3-diimine
CID 91598868
N-butyl-5-methylcyclohex-2-en-1-imine
CID 123167409
2-[(6-Methylcyclohex-2-en-1-ylidene)amino]ethanamine
CID 123211734
N-ethyl-5,6-dimethylcyclohex-2-en-1-imine
CID 123422569
4-(3-ethyl-2-methylpentan-2-yl)-N-methylcyclohex-2-en-1-imine
CID 123457246
2-[(4-Propan-2-ylcyclohex-2-en-1-ylidene)amino]ethanamine
CID 123495440

Frequently Asked Questions

What is the IUPAC name of (5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine?
The IUPAC name of (5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine (CID 90785170) is (5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine.
What is the SMILES notation for (5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine?
The canonical SMILES for (5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine is CC1CCC/C=C\C2=NCCN=C21.
What is the InChIKey of (5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine?
The InChIKey is LICPWLYMEHKNPW-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-5-3-2-4-6-10-11(9)13-8-7-12-10/h4,6,9H,2-3,5,7-8H2,1H3/b6-4-.
What are the key properties of (5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine?
(5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine has a molecular weight of 176.26 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine is sourced from PubChem (CID 90785170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).