ethane;6-methyl-1,5-dihydropyrrolo[2,3-b]azepine

C11H16N2 — CID 144945316

IUPACethane;6-methyl-1,5-dihydropyrrolo[2,3-b]azepine
SMILESCC.CC1=CN=c2[nH]ccc2=CC1
InChIInChI=1S/C9H10N2.C2H6/c1-7-2-3-8-4-5-10-9(8)11-6-7;1-2/h3-6H,2H2,1H3,(H,10,11);1-2H3
InChIKeyMFGOPZYYQXHMFE-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.75
Rot. Bonds

About ethane;6-methyl-1,5-dihydropyrrolo[2,3-b]azepine

ethane;6-methyl-1,5-dihydropyrrolo[2,3-b]azepine (PubChem CID 144945316) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;6-methyl-1,5-dihydropyrrolo[2,3-b]azepine.

Molecular Properties

Compound Nameethane;6-methyl-1,5-dihydropyrrolo[2,3-b]azepine
PubChem CID144945316
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Nameethane;6-methyl-1,5-dihydropyrrolo[2,3-b]azepine
SMILESCC.CC1=CN=c2[nH]ccc2=CC1
InChIInChI=1S/C9H10N2.C2H6/c1-7-2-3-8-4-5-10-9(8)11-6-7;1-2/h3-6H,2H2,1H3,(H,10,11);1-2H3
InChIKeyMFGOPZYYQXHMFE-UHFFFAOYSA-N
XLogP1.75
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-Dihydro-7-azaindole
CID 70639991
(3Z)-3-ethylidene-N-(1-fluoroethyl)-1H-pyrrol-2-imine
CID 173810774
(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 89289290
6-ethenyl-3-methylidene-5-N-propan-2-ylazepine-2,5-diamine
CID 90126466
8-methyl-4H-cyclopenta[c][1,8]naphthyridine
CID 91205102
(3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine
CID 118900424
(2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide
CID 123185969
2-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazacyclohepta-2,5,6-triene
CID 123196788
4-Chloro-6-ethyl-1,5-dihydropyrrolo[2,3-b]azepine
CID 123414169
N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine
CID 123477375
2-[(3E)-4-chloropenta-1,3-dien-2-yl]-1,4-dihydropyrimidine
CID 123798047
(4Z)-N-ethenyl-4-ethylidene-2,3-dihydropyrrol-5-amine
CID 123900638

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-1,5-dihydropyrrolo[2,3-b]azepine?
The IUPAC name of ethane;6-methyl-1,5-dihydropyrrolo[2,3-b]azepine (CID 144945316) is ethane;6-methyl-1,5-dihydropyrrolo[2,3-b]azepine.
What is the SMILES notation for ethane;6-methyl-1,5-dihydropyrrolo[2,3-b]azepine?
The canonical SMILES for ethane;6-methyl-1,5-dihydropyrrolo[2,3-b]azepine is CC.CC1=CN=c2[nH]ccc2=CC1.
What is the InChIKey of ethane;6-methyl-1,5-dihydropyrrolo[2,3-b]azepine?
The InChIKey is MFGOPZYYQXHMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C2H6/c1-7-2-3-8-4-5-10-9(8)11-6-7;1-2/h3-6H,2H2,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;6-methyl-1,5-dihydropyrrolo[2,3-b]azepine?
ethane;6-methyl-1,5-dihydropyrrolo[2,3-b]azepine has a molecular weight of 176.26 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-1,5-dihydropyrrolo[2,3-b]azepine is sourced from PubChem (CID 144945316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).