5,5-dimethyl-2,3-dihydro-1H-cyclohepta[b]pyrrole

C11H15N — CID 138721974

IUPAC5,5-dimethyl-2,3-dihydro-1H-cyclohepta[b]pyrrole
SMILESCC1(C)C=CC=C2NCCC2=C1
InChIInChI=1S/C11H15N/c1-11(2)6-3-4-10-9(8-11)5-7-12-10/h3-4,6,8,12H,5,7H2,1-2H3
InChIKeyQQGVGBANYGSSPJ-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.39
Rot. Bonds

About 5,5-dimethyl-2,3-dihydro-1H-cyclohepta[b]pyrrole

5,5-dimethyl-2,3-dihydro-1H-cyclohepta[b]pyrrole (PubChem CID 138721974) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 5,5-dimethyl-2,3-dihydro-1H-cyclohepta[b]pyrrole.

Molecular Properties

Compound Name5,5-dimethyl-2,3-dihydro-1H-cyclohepta[b]pyrrole
PubChem CID138721974
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name5,5-dimethyl-2,3-dihydro-1H-cyclohepta[b]pyrrole
SMILESCC1(C)C=CC=C2NCCC2=C1
InChIInChI=1S/C11H15N/c1-11(2)6-3-4-10-9(8-11)5-7-12-10/h3-4,6,8,12H,5,7H2,1-2H3
InChIKeyQQGVGBANYGSSPJ-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2,3-dihydro-1H-cyclohepta[b]pyrrole?
The IUPAC name of 5,5-dimethyl-2,3-dihydro-1H-cyclohepta[b]pyrrole (CID 138721974) is 5,5-dimethyl-2,3-dihydro-1H-cyclohepta[b]pyrrole.
What is the SMILES notation for 5,5-dimethyl-2,3-dihydro-1H-cyclohepta[b]pyrrole?
The canonical SMILES for 5,5-dimethyl-2,3-dihydro-1H-cyclohepta[b]pyrrole is CC1(C)C=CC=C2NCCC2=C1.
What is the InChIKey of 5,5-dimethyl-2,3-dihydro-1H-cyclohepta[b]pyrrole?
The InChIKey is QQGVGBANYGSSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-11(2)6-3-4-10-9(8-11)5-7-12-10/h3-4,6,8,12H,5,7H2,1-2H3.
What are the key properties of 5,5-dimethyl-2,3-dihydro-1H-cyclohepta[b]pyrrole?
5,5-dimethyl-2,3-dihydro-1H-cyclohepta[b]pyrrole has a molecular weight of 161.25 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2,3-dihydro-1H-cyclohepta[b]pyrrole is sourced from PubChem (CID 138721974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).