1,6-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole

C11H15N — CID 143655105

IUPAC1,6-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole
SMILESCC1C=CC2=C(C=C1)N(C)CC2
InChIInChI=1S/C11H15N/c1-9-3-5-10-7-8-12(2)11(10)6-4-9/h3-6,9H,7-8H2,1-2H3
InChIKeyMBAFVIRIHOKTHB-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.34
Rot. Bonds

About 1,6-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole

1,6-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole (PubChem CID 143655105) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1,6-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole.

Molecular Properties

Compound Name1,6-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole
PubChem CID143655105
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1,6-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole
SMILESCC1C=CC2=C(C=C1)N(C)CC2
InChIInChI=1S/C11H15N/c1-9-3-5-10-7-8-12(2)11(10)6-4-9/h3-6,9H,7-8H2,1-2H3
InChIKeyMBAFVIRIHOKTHB-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-3,6-dihydro-2H-cyclohepta[b]pyrrole
CID 143479526
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2,5-dimethyl-2-azabicyclo[6.5.0]trideca-1(8),9,12-triene;ethane
CID 142581446
6-methyl-1,2,3,6-tetrahydrocyclohepta[c]pyrrole
CID 142981281
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CID 88989613
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CID 156794077
1,4-dimethyl-2,3,4,5-tetrahydrocyclopenta[b]pyridine
CID 58449484
5,9,13-trimethyl-9-azatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,11,14-hexaene
CID 143010057
4,12-dimethyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),10,13-tetraene
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4-methylcyclohexa-2,5-diene-1-thione
CID 129294481
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CID 91221169

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole?
The IUPAC name of 1,6-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole (CID 143655105) is 1,6-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole.
What is the SMILES notation for 1,6-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole?
The canonical SMILES for 1,6-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole is CC1C=CC2=C(C=C1)N(C)CC2.
What is the InChIKey of 1,6-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole?
The InChIKey is MBAFVIRIHOKTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-9-3-5-10-7-8-12(2)11(10)6-4-9/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1,6-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole?
1,6-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole has a molecular weight of 161.25 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole is sourced from PubChem (CID 143655105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).