3-ethylidene-2-methyl-6-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-5H-cyclohepta[b]pyrrole

C16H23N — CID 123713324

IUPAC3-ethylidene-2-methyl-6-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-5H-cyclohepta[b]pyrrole
SMILESCC=C1C2=CCC(C3CC3C)CCC2N=C1C
InChIInChI=1S/C16H23N/c1-4-13-11(3)17-16-8-6-12(5-7-14(13)16)15-9-10(15)2/h4,7,10,12,15-16H,5-6,8-9H2,1-3H3
InChIKeyQYDYBLRXOAUHGA-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.16
Rot. Bonds1

About 3-ethylidene-2-methyl-6-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-5H-cyclohepta[b]pyrrole

3-ethylidene-2-methyl-6-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-5H-cyclohepta[b]pyrrole (PubChem CID 123713324) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-ethylidene-2-methyl-6-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-5H-cyclohepta[b]pyrrole.

Molecular Properties

Compound Name3-ethylidene-2-methyl-6-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-5H-cyclohepta[b]pyrrole
PubChem CID123713324
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name3-ethylidene-2-methyl-6-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-5H-cyclohepta[b]pyrrole
SMILESCC=C1C2=CCC(C3CC3C)CCC2N=C1C
InChIInChI=1S/C16H23N/c1-4-13-11(3)17-16-8-6-12(5-7-14(13)16)15-9-10(15)2/h4,7,10,12,15-16H,5-6,8-9H2,1-3H3
InChIKeyQYDYBLRXOAUHGA-UHFFFAOYSA-N
XLogP4.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-2-methyl-6-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-5H-cyclohepta[b]pyrrole?
The IUPAC name of 3-ethylidene-2-methyl-6-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-5H-cyclohepta[b]pyrrole (CID 123713324) is 3-ethylidene-2-methyl-6-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-5H-cyclohepta[b]pyrrole.
What is the SMILES notation for 3-ethylidene-2-methyl-6-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-5H-cyclohepta[b]pyrrole?
The canonical SMILES for 3-ethylidene-2-methyl-6-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-5H-cyclohepta[b]pyrrole is CC=C1C2=CCC(C3CC3C)CCC2N=C1C.
What is the InChIKey of 3-ethylidene-2-methyl-6-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-5H-cyclohepta[b]pyrrole?
The InChIKey is QYDYBLRXOAUHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-13-11(3)17-16-8-6-12(5-7-14(13)16)15-9-10(15)2/h4,7,10,12,15-16H,5-6,8-9H2,1-3H3.
What are the key properties of 3-ethylidene-2-methyl-6-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-5H-cyclohepta[b]pyrrole?
3-ethylidene-2-methyl-6-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-5H-cyclohepta[b]pyrrole has a molecular weight of 229.37 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-2-methyl-6-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-5H-cyclohepta[b]pyrrole is sourced from PubChem (CID 123713324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).