2,3-dihydro-1H-cyclohepta[c]pyrrole

C9H9N — CID 123143801

IUPAC2,3-dihydro-1H-cyclohepta[c]pyrrole
SMILESC1=CC=C2CNCC2=CC=1
InChIInChI=1S/C9H9N/c1-2-4-8-6-10-7-9(8)5-3-1/h2-5,10H,6-7H2
InChIKeyYLQVPFJUINWIIC-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.17
Rot. Bonds

About 2,3-dihydro-1H-cyclohepta[c]pyrrole

2,3-dihydro-1H-cyclohepta[c]pyrrole (PubChem CID 123143801) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 2,3-dihydro-1H-cyclohepta[c]pyrrole.

Molecular Properties

Compound Name2,3-dihydro-1H-cyclohepta[c]pyrrole
PubChem CID123143801
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name2,3-dihydro-1H-cyclohepta[c]pyrrole
SMILESC1=CC=C2CNCC2=CC=1
InChIInChI=1S/C9H9N/c1-2-4-8-6-10-7-9(8)5-3-1/h2-5,10H,6-7H2
InChIKeyYLQVPFJUINWIIC-UHFFFAOYSA-N
XLogP1.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-Fluoro-1,2,3,8a-tetrahydrocyclohepta[c]pyrrole
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(3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine
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(4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-cyclohepta[c]pyrrole?
The IUPAC name of 2,3-dihydro-1H-cyclohepta[c]pyrrole (CID 123143801) is 2,3-dihydro-1H-cyclohepta[c]pyrrole.
What is the SMILES notation for 2,3-dihydro-1H-cyclohepta[c]pyrrole?
The canonical SMILES for 2,3-dihydro-1H-cyclohepta[c]pyrrole is C1=CC=C2CNCC2=CC=1.
What is the InChIKey of 2,3-dihydro-1H-cyclohepta[c]pyrrole?
The InChIKey is YLQVPFJUINWIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-4-8-6-10-7-9(8)5-3-1/h2-5,10H,6-7H2.
What are the key properties of 2,3-dihydro-1H-cyclohepta[c]pyrrole?
2,3-dihydro-1H-cyclohepta[c]pyrrole has a molecular weight of 131.18 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-cyclohepta[c]pyrrole is sourced from PubChem (CID 123143801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).