6-ethyl-1-methyl-2-methylidene-3,6-dihydrocyclohepta[b]pyrrole

C13H17N — CID 143347205

IUPAC6-ethyl-1-methyl-2-methylidene-3,6-dihydrocyclohepta[b]pyrrole
SMILESC=C1CC2=C(C=CC(CC)C=C2)N1C
InChIInChI=1S/C13H17N/c1-4-11-5-7-12-9-10(2)14(3)13(12)8-6-11/h5-8,11H,2,4,9H2,1,3H3
InChIKeyQTWLHZXKSDCUOC-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.24
Rot. Bonds1

About 6-ethyl-1-methyl-2-methylidene-3,6-dihydrocyclohepta[b]pyrrole

6-ethyl-1-methyl-2-methylidene-3,6-dihydrocyclohepta[b]pyrrole (PubChem CID 143347205) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 6-ethyl-1-methyl-2-methylidene-3,6-dihydrocyclohepta[b]pyrrole.

Molecular Properties

Compound Name6-ethyl-1-methyl-2-methylidene-3,6-dihydrocyclohepta[b]pyrrole
PubChem CID143347205
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name6-ethyl-1-methyl-2-methylidene-3,6-dihydrocyclohepta[b]pyrrole
SMILESC=C1CC2=C(C=CC(CC)C=C2)N1C
InChIInChI=1S/C13H17N/c1-4-11-5-7-12-9-10(2)14(3)13(12)8-6-11/h5-8,11H,2,4,9H2,1,3H3
InChIKeyQTWLHZXKSDCUOC-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-ethylcyclopenta-1,3-diene;hafnium
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1,6-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole
CID 143655105
potassium;5-ethylcyclopenta-1,3-diene;hydride
CID 174542607
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(2R)-2-ethyl-1-methyl-4-methylidenepyrrolidine
CID 89010879
N-methylmethanamine;(2E)-1-methyl-2-(2-methylprop-2-enylidene)-5,6-dihydroquinazoline;propane
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2-ethyl-5-methylidenepyrrolidin-1-amine
CID 167309498
2-ethyl-4-methylidenepiperidine
CID 142341722
5-methylidene-6-propylcyclohexa-1,3-diene
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6-ethyl-2-methyl-6H-indole
CID 151606870

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methyl-2-methylidene-3,6-dihydrocyclohepta[b]pyrrole?
The IUPAC name of 6-ethyl-1-methyl-2-methylidene-3,6-dihydrocyclohepta[b]pyrrole (CID 143347205) is 6-ethyl-1-methyl-2-methylidene-3,6-dihydrocyclohepta[b]pyrrole.
What is the SMILES notation for 6-ethyl-1-methyl-2-methylidene-3,6-dihydrocyclohepta[b]pyrrole?
The canonical SMILES for 6-ethyl-1-methyl-2-methylidene-3,6-dihydrocyclohepta[b]pyrrole is C=C1CC2=C(C=CC(CC)C=C2)N1C.
What is the InChIKey of 6-ethyl-1-methyl-2-methylidene-3,6-dihydrocyclohepta[b]pyrrole?
The InChIKey is QTWLHZXKSDCUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-4-11-5-7-12-9-10(2)14(3)13(12)8-6-11/h5-8,11H,2,4,9H2,1,3H3.
What are the key properties of 6-ethyl-1-methyl-2-methylidene-3,6-dihydrocyclohepta[b]pyrrole?
6-ethyl-1-methyl-2-methylidene-3,6-dihydrocyclohepta[b]pyrrole has a molecular weight of 187.29 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methyl-2-methylidene-3,6-dihydrocyclohepta[b]pyrrole is sourced from PubChem (CID 143347205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).