ethane;6-ethyl-2-methyl-3,8-dihydrocyclohepta[b]pyrrole

C14H21N — CID 143345371

IUPACethane;6-ethyl-2-methyl-3,8-dihydrocyclohepta[b]pyrrole
SMILESCC.CCC1=CCC2=C(C=C1)CC(C)=N2
InChIInChI=1S/C12H15N.C2H6/c1-3-10-4-6-11-8-9(2)13-12(11)7-5-10;1-2/h4-6H,3,7-8H2,1-2H3;1-2H3
InChIKeyZDINVBBQJQOTAU-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.43
Rot. Bonds1

About ethane;6-ethyl-2-methyl-3,8-dihydrocyclohepta[b]pyrrole

ethane;6-ethyl-2-methyl-3,8-dihydrocyclohepta[b]pyrrole (PubChem CID 143345371) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is ethane;6-ethyl-2-methyl-3,8-dihydrocyclohepta[b]pyrrole.

Molecular Properties

Compound Nameethane;6-ethyl-2-methyl-3,8-dihydrocyclohepta[b]pyrrole
PubChem CID143345371
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Nameethane;6-ethyl-2-methyl-3,8-dihydrocyclohepta[b]pyrrole
SMILESCC.CCC1=CCC2=C(C=C1)CC(C)=N2
InChIInChI=1S/C12H15N.C2H6/c1-3-10-4-6-11-8-9(2)13-12(11)7-5-10;1-2/h4-6H,3,7-8H2,1-2H3;1-2H3
InChIKeyZDINVBBQJQOTAU-UHFFFAOYSA-N
XLogP4.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-2-methyl-3,8-dihydrocyclohepta[b]pyrrole?
The IUPAC name of ethane;6-ethyl-2-methyl-3,8-dihydrocyclohepta[b]pyrrole (CID 143345371) is ethane;6-ethyl-2-methyl-3,8-dihydrocyclohepta[b]pyrrole.
What is the SMILES notation for ethane;6-ethyl-2-methyl-3,8-dihydrocyclohepta[b]pyrrole?
The canonical SMILES for ethane;6-ethyl-2-methyl-3,8-dihydrocyclohepta[b]pyrrole is CC.CCC1=CCC2=C(C=C1)CC(C)=N2.
What is the InChIKey of ethane;6-ethyl-2-methyl-3,8-dihydrocyclohepta[b]pyrrole?
The InChIKey is ZDINVBBQJQOTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C2H6/c1-3-10-4-6-11-8-9(2)13-12(11)7-5-10;1-2/h4-6H,3,7-8H2,1-2H3;1-2H3.
What are the key properties of ethane;6-ethyl-2-methyl-3,8-dihydrocyclohepta[b]pyrrole?
ethane;6-ethyl-2-methyl-3,8-dihydrocyclohepta[b]pyrrole has a molecular weight of 203.33 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-2-methyl-3,8-dihydrocyclohepta[b]pyrrole is sourced from PubChem (CID 143345371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).