ethane;5,6,7,8-tetrahydrocinnoline

C12H22N2 — CID 167521834

IUPACethane;5,6,7,8-tetrahydrocinnoline
SMILESCC.CC.c1cc2c(nn1)CCCC2
InChIInChI=1S/C8H10N2.2C2H6/c1-2-4-8-7(3-1)5-6-9-10-8;2*1-2/h5-6H,1-4H2;2*1-2H3
InChIKeyQZZXBNWUUGYPAE-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.41
Rot. Bonds

About ethane;5,6,7,8-tetrahydrocinnoline

ethane;5,6,7,8-tetrahydrocinnoline (PubChem CID 167521834) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;5,6,7,8-tetrahydrocinnoline.

Molecular Properties

Compound Nameethane;5,6,7,8-tetrahydrocinnoline
PubChem CID167521834
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Nameethane;5,6,7,8-tetrahydrocinnoline
SMILESCC.CC.c1cc2c(nn1)CCCC2
InChIInChI=1S/C8H10N2.2C2H6/c1-2-4-8-7(3-1)5-6-9-10-8;2*1-2/h5-6H,1-4H2;2*1-2H3
InChIKeyQZZXBNWUUGYPAE-UHFFFAOYSA-N
XLogP3.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5,6,7,8-tetrahydrocinnoline?
The IUPAC name of ethane;5,6,7,8-tetrahydrocinnoline (CID 167521834) is ethane;5,6,7,8-tetrahydrocinnoline.
What is the SMILES notation for ethane;5,6,7,8-tetrahydrocinnoline?
The canonical SMILES for ethane;5,6,7,8-tetrahydrocinnoline is CC.CC.c1cc2c(nn1)CCCC2.
What is the InChIKey of ethane;5,6,7,8-tetrahydrocinnoline?
The InChIKey is QZZXBNWUUGYPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.2C2H6/c1-2-4-8-7(3-1)5-6-9-10-8;2*1-2/h5-6H,1-4H2;2*1-2H3.
What are the key properties of ethane;5,6,7,8-tetrahydrocinnoline?
ethane;5,6,7,8-tetrahydrocinnoline has a molecular weight of 194.32 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5,6,7,8-tetrahydrocinnoline is sourced from PubChem (CID 167521834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).