5,5-dimethyl-1H-pyrrolo[2,3-b]azepine

C10H12N2 — CID 143500219

IUPAC5,5-dimethyl-1H-pyrrolo[2,3-b]azepine
SMILESCC1(C)C=CN=c2[nH]ccc2=C1
InChIInChI=1S/C10H12N2/c1-10(2)4-6-12-9-8(7-10)3-5-11-9/h3-7H,1-2H3,(H,11,12)
InChIKeyQXHFHAHWGPAEIS-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.97
Rot. Bonds

About 5,5-dimethyl-1H-pyrrolo[2,3-b]azepine

5,5-dimethyl-1H-pyrrolo[2,3-b]azepine (PubChem CID 143500219) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5,5-dimethyl-1H-pyrrolo[2,3-b]azepine.

Molecular Properties

Compound Name5,5-dimethyl-1H-pyrrolo[2,3-b]azepine
PubChem CID143500219
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5,5-dimethyl-1H-pyrrolo[2,3-b]azepine
SMILESCC1(C)C=CN=c2[nH]ccc2=C1
InChIInChI=1S/C10H12N2/c1-10(2)4-6-12-9-8(7-10)3-5-11-9/h3-7H,1-2H3,(H,11,12)
InChIKeyQXHFHAHWGPAEIS-UHFFFAOYSA-N
XLogP0.97
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 70639991
(3Z)-3-ethylidene-N-(1-fluoroethyl)-1H-pyrrol-2-imine
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(3Z)-3-ethylidene-N-(fluoromethyl)-1H-pyrrol-2-imine
CID 173891209
(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 89289290
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CID 91205102
(3Z)-3-[(Z)-2-methylbut-2-enylidene]pyrrol-2-amine
CID 118474874
(3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine
CID 118900424
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
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CID 123798047
(4Z)-N-ethenyl-4-ethylidene-2,3-dihydropyrrol-5-amine
CID 123900638

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1H-pyrrolo[2,3-b]azepine?
The IUPAC name of 5,5-dimethyl-1H-pyrrolo[2,3-b]azepine (CID 143500219) is 5,5-dimethyl-1H-pyrrolo[2,3-b]azepine.
What is the SMILES notation for 5,5-dimethyl-1H-pyrrolo[2,3-b]azepine?
The canonical SMILES for 5,5-dimethyl-1H-pyrrolo[2,3-b]azepine is CC1(C)C=CN=c2[nH]ccc2=C1.
What is the InChIKey of 5,5-dimethyl-1H-pyrrolo[2,3-b]azepine?
The InChIKey is QXHFHAHWGPAEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-10(2)4-6-12-9-8(7-10)3-5-11-9/h3-7H,1-2H3,(H,11,12).
What are the key properties of 5,5-dimethyl-1H-pyrrolo[2,3-b]azepine?
5,5-dimethyl-1H-pyrrolo[2,3-b]azepine has a molecular weight of 160.22 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1H-pyrrolo[2,3-b]azepine is sourced from PubChem (CID 143500219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).