ethane;3-methyl-5,6,7,8-tetrahydrocinnoline

C11H18N2 — CID 176717878

IUPACethane;3-methyl-5,6,7,8-tetrahydrocinnoline
SMILESCC.Cc1cc2c(nn1)CCCC2
InChIInChI=1S/C9H12N2.C2H6/c1-7-6-8-4-2-3-5-9(8)11-10-7;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyPTPDWWQTMOLJRT-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.69
Rot. Bonds

About ethane;3-methyl-5,6,7,8-tetrahydrocinnoline

ethane;3-methyl-5,6,7,8-tetrahydrocinnoline (PubChem CID 176717878) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is ethane;3-methyl-5,6,7,8-tetrahydrocinnoline.

Molecular Properties

Compound Nameethane;3-methyl-5,6,7,8-tetrahydrocinnoline
PubChem CID176717878
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Nameethane;3-methyl-5,6,7,8-tetrahydrocinnoline
SMILESCC.Cc1cc2c(nn1)CCCC2
InChIInChI=1S/C9H12N2.C2H6/c1-7-6-8-4-2-3-5-9(8)11-10-7;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyPTPDWWQTMOLJRT-UHFFFAOYSA-N
XLogP2.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-iodo-5,6,7,8-tetrahydrocinnoline
CID 139517133
3-bromo-5,6,7,8-tetrahydrocinnoline
CID 164662735
ethane;3-methyl-5,6,7,8-tetrahydroquinoline
CID 143839109
ethane;5,6,7,8-tetrahydrocinnoline
CID 167521834
3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine
CID 24944454
ethane;3-methyl-5,6-dihydrofuro[2,3-c]pyridazine
CID 145497461
methyl 6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine-3-carboxylate
CID 101416291
2-bromo-3-methyl-5,6,7,8-tetrahydroquinoline
CID 10105092
(NE)-N-(3-methyl-7,8-dihydro-6H-cinnolin-5-ylidene)hydroxylamine
CID 135449557
ethane;N-methylmethanamine;2-methyl-5,6,7,8-tetrahydroquinoline
CID 165400143
3-(1-adamantyl)-5,6,7,8-tetrahydrocinnoline
CID 15950548
3-(3,3-dimethylbut-1-ynyl)-6,7-dihydro-5H-cyclopenta[c]pyridazine
CID 122242718

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5,6,7,8-tetrahydrocinnoline?
The IUPAC name of ethane;3-methyl-5,6,7,8-tetrahydrocinnoline (CID 176717878) is ethane;3-methyl-5,6,7,8-tetrahydrocinnoline.
What is the SMILES notation for ethane;3-methyl-5,6,7,8-tetrahydrocinnoline?
The canonical SMILES for ethane;3-methyl-5,6,7,8-tetrahydrocinnoline is CC.Cc1cc2c(nn1)CCCC2.
What is the InChIKey of ethane;3-methyl-5,6,7,8-tetrahydrocinnoline?
The InChIKey is PTPDWWQTMOLJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.C2H6/c1-7-6-8-4-2-3-5-9(8)11-10-7;1-2/h6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-5,6,7,8-tetrahydrocinnoline?
ethane;3-methyl-5,6,7,8-tetrahydrocinnoline has a molecular weight of 178.28 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5,6,7,8-tetrahydrocinnoline is sourced from PubChem (CID 176717878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).