6,6-dimethyl-3,5-dihydro-2H-cyclohepta[b]pyrrole

C11H15N — CID 90855606

IUPAC6,6-dimethyl-3,5-dihydro-2H-cyclohepta[b]pyrrole
SMILESCC1(C)C=CC2=NCCC2=CC1
InChIInChI=1S/C11H15N/c1-11(2)6-3-9-5-8-12-10(9)4-7-11/h3-4,7H,5-6,8H2,1-2H3
InChIKeyKPXBJRAORSTFPT-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.74
Rot. Bonds

About 6,6-dimethyl-3,5-dihydro-2H-cyclohepta[b]pyrrole

6,6-dimethyl-3,5-dihydro-2H-cyclohepta[b]pyrrole (PubChem CID 90855606) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 6,6-dimethyl-3,5-dihydro-2H-cyclohepta[b]pyrrole.

Molecular Properties

Compound Name6,6-dimethyl-3,5-dihydro-2H-cyclohepta[b]pyrrole
PubChem CID90855606
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name6,6-dimethyl-3,5-dihydro-2H-cyclohepta[b]pyrrole
SMILESCC1(C)C=CC2=NCCC2=CC1
InChIInChI=1S/C11H15N/c1-11(2)6-3-9-5-8-12-10(9)4-7-11/h3-4,7H,5-6,8H2,1-2H3
InChIKeyKPXBJRAORSTFPT-UHFFFAOYSA-N
XLogP2.74
TPSA12.36 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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,5,6-Tetrahydrocyclohepta[b]pyrrole
CID 91212488
5-Ethenyl-4-ethylidene-2,3-dihydropyrrole
CID 90829219
Cycloheptazoline
CID 129710643
5-tert-butyl-2H-pyrrole
CID 57674557
5-tert-butyl-3-methyl-2H-pyrrole
CID 58093880
3,5-ditert-butyl-2H-pyrrole
CID 58139020
3-tert-butyl-5-ethenyl-2H-pyrrole
CID 58263444
4-tert-butyl-5-ethenyl-2H-pyrrole
CID 58263748
(4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole
CID 90739607
(4Z)-5-[(Z)-prop-1-enyl]-4-propylidene-2,3-dihydropyrrole
CID 91278108
5,5-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole
CID 91352672
(4Z)-4-ethylidene-3,3,5-trimethyl-2H-pyrrole
CID 91393204

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3,5-dihydro-2H-cyclohepta[b]pyrrole?
The IUPAC name of 6,6-dimethyl-3,5-dihydro-2H-cyclohepta[b]pyrrole (CID 90855606) is 6,6-dimethyl-3,5-dihydro-2H-cyclohepta[b]pyrrole.
What is the SMILES notation for 6,6-dimethyl-3,5-dihydro-2H-cyclohepta[b]pyrrole?
The canonical SMILES for 6,6-dimethyl-3,5-dihydro-2H-cyclohepta[b]pyrrole is CC1(C)C=CC2=NCCC2=CC1.
What is the InChIKey of 6,6-dimethyl-3,5-dihydro-2H-cyclohepta[b]pyrrole?
The InChIKey is KPXBJRAORSTFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-11(2)6-3-9-5-8-12-10(9)4-7-11/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 6,6-dimethyl-3,5-dihydro-2H-cyclohepta[b]pyrrole?
6,6-dimethyl-3,5-dihydro-2H-cyclohepta[b]pyrrole has a molecular weight of 161.25 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3,5-dihydro-2H-cyclohepta[b]pyrrole is sourced from PubChem (CID 90855606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).