ethane;7-methyl-7H-cyclohepta[b]pyridine

C13H17N — CID 143091378

IUPACethane;7-methyl-7H-cyclohepta[b]pyridine
SMILESCC.CC1C=Cc2cccnc2C=C1
InChIInChI=1S/C11H11N.C2H6/c1-9-4-6-10-3-2-8-12-11(10)7-5-9;1-2/h2-9H,1H3;1-2H3
InChIKeyBTNSLJMUSXUMMO-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.78
Rot. Bonds

About ethane;7-methyl-7H-cyclohepta[b]pyridine

ethane;7-methyl-7H-cyclohepta[b]pyridine (PubChem CID 143091378) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is ethane;7-methyl-7H-cyclohepta[b]pyridine.

Molecular Properties

Compound Nameethane;7-methyl-7H-cyclohepta[b]pyridine
PubChem CID143091378
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Nameethane;7-methyl-7H-cyclohepta[b]pyridine
SMILESCC.CC1C=Cc2cccnc2C=C1
InChIInChI=1S/C11H11N.C2H6/c1-9-4-6-10-3-2-8-12-11(10)7-5-9;1-2/h2-9H,1H3;1-2H3
InChIKeyBTNSLJMUSXUMMO-UHFFFAOYSA-N
XLogP3.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,7-dimethyl-7H-cyclohepta[b]pyridine
CID 155713495
7-methyl-7H-pyrido[2,3-b]azepine
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(5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine
CID 91868291
(5S)-5-methyl-5H-cyclohepta[b]pyridine
CID 143833793
7H-pyrido[2,3-d]azepine;dihydrochloride
CID 158778136
1,2-dihydro-1,8-naphthyridin-2-ol
CID 167227347
ethane;4-methyl-7-pyridin-2-yl-4H-azepine
CID 142200187
7-methylpyrido[2,3-c]azepin-7-amine
CID 143248604
7H-cyclopenta[b]pyridin-7-amine;dihydrochloride
CID 175219191
N-ethyl-N-propan-2-yl-7H-cyclopenta[b]pyridin-7-amine
CID 59176540
2,3-dimethylpyridine;1,4-xylene
CID 174745079
7H-cyclopenta[b]pyridine;ethane
CID 91481517

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-7H-cyclohepta[b]pyridine?
The IUPAC name of ethane;7-methyl-7H-cyclohepta[b]pyridine (CID 143091378) is ethane;7-methyl-7H-cyclohepta[b]pyridine.
What is the SMILES notation for ethane;7-methyl-7H-cyclohepta[b]pyridine?
The canonical SMILES for ethane;7-methyl-7H-cyclohepta[b]pyridine is CC.CC1C=Cc2cccnc2C=C1.
What is the InChIKey of ethane;7-methyl-7H-cyclohepta[b]pyridine?
The InChIKey is BTNSLJMUSXUMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.C2H6/c1-9-4-6-10-3-2-8-12-11(10)7-5-9;1-2/h2-9H,1H3;1-2H3.
What are the key properties of ethane;7-methyl-7H-cyclohepta[b]pyridine?
ethane;7-methyl-7H-cyclohepta[b]pyridine has a molecular weight of 187.29 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-7H-cyclohepta[b]pyridine is sourced from PubChem (CID 143091378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).