4,5-dimethyl-6H-cyclopenta[b]pyridine;1,7-dimethyl-6H-cyclopenta[c]pyridine;4,5-dimethyl-6H-cyclopenta[c]pyridine;1,7-dimethyl-2H-indene;ethane

C49H69N3 — CID 158160822

IUPAC4,5-dimethyl-6H-cyclopenta[b]pyridine;1,7-dimethyl-6H-cyclopenta[c]pyridine;4,5-dimethyl-6H-cyclopenta[c]pyridine;1,7-dimethyl-2H-indene;ethane
SMILESCC.CC.CC.CC.CC1=c2c(C)cccc2=CC1.CC1=c2c(C)ccnc2=CC1.CC1=c2c(C)cncc2=CC1.CC1=c2c(C)nccc2=CC1
InChIInChI=1S/C11H12.3C10H11N.4C2H6/c1-8-4-3-5-10-7-6-9(2)11(8)10;1-7-3-4-9-6-11-5-8(2)10(7)9;1-7-3-4-9-5-6-11-8(2)10(7)9;1-7-3-4-9-10(7)8(2)5-6-11-9;4*1-2/h3-5,7H,6H2,1-2H3;3*4-6H,3H2,1-2H3;4*1-2H3
InChIKeyFWGDVXWQPSQGBS-UHFFFAOYSA-N
MW700.11 g/mol
LogP7.69
Rot. Bonds

About 4,5-dimethyl-6H-cyclopenta[b]pyridine;1,7-dimethyl-6H-cyclopenta[c]pyridine;4,5-dimethyl-6H-cyclopenta[c]pyridine;1,7-dimethyl-2H-indene;ethane

4,5-dimethyl-6H-cyclopenta[b]pyridine;1,7-dimethyl-6H-cyclopenta[c]pyridine;4,5-dimethyl-6H-cyclopenta[c]pyridine;1,7-dimethyl-2H-indene;ethane (PubChem CID 158160822) has the molecular formula C49H69N3 and a molecular weight of 700.11 g/mol. Its IUPAC name is 4,5-dimethyl-6H-cyclopenta[b]pyridine;1,7-dimethyl-6H-cyclopenta[c]pyridine;4,5-dimethyl-6H-cyclopenta[c]pyridine;1,7-dimethyl-2H-indene;ethane.

Molecular Properties

Compound Name4,5-dimethyl-6H-cyclopenta[b]pyridine;1,7-dimethyl-6H-cyclopenta[c]pyridine;4,5-dimethyl-6H-cyclopenta[c]pyridine;1,7-dimethyl-2H-indene;ethane
PubChem CID158160822
Molecular FormulaC49H69N3
Molecular Weight700.11 g/mol
Exact Mass699.55
IUPAC Name4,5-dimethyl-6H-cyclopenta[b]pyridine;1,7-dimethyl-6H-cyclopenta[c]pyridine;4,5-dimethyl-6H-cyclopenta[c]pyridine;1,7-dimethyl-2H-indene;ethane
SMILESCC.CC.CC.CC.CC1=c2c(C)cccc2=CC1.CC1=c2c(C)ccnc2=CC1.CC1=c2c(C)cncc2=CC1.CC1=c2c(C)nccc2=CC1
InChIInChI=1S/C11H12.3C10H11N.4C2H6/c1-8-4-3-5-10-7-6-9(2)11(8)10;1-7-3-4-9-6-11-5-8(2)10(7)9;1-7-3-4-9-5-6-11-8(2)10(7)9;1-7-3-4-9-10(7)8(2)5-6-11-9;4*1-2/h3-5,7H,6H2,1-2H3;3*4-6H,3H2,1-2H3;4*1-2H3
InChIKeyFWGDVXWQPSQGBS-UHFFFAOYSA-N
XLogP7.69
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.11
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5-dimethyl-6H-cyclopenta[b]pyridine;1,7-dimethyl-6H-cyclopenta[c]pyridine;4,5-dimethyl-6H-cyclopenta[c]pyridine;1,7-dimethyl-2H-indene;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6H-cyclopenta[b]pyridine;1,7-dimethyl-6H-cyclopenta[c]pyridine;4,5-dimethyl-6H-cyclopenta[c]pyridine;1,7-dimethyl-2H-indene;ethane?
The IUPAC name of 4,5-dimethyl-6H-cyclopenta[b]pyridine;1,7-dimethyl-6H-cyclopenta[c]pyridine;4,5-dimethyl-6H-cyclopenta[c]pyridine;1,7-dimethyl-2H-indene;ethane (CID 158160822) is 4,5-dimethyl-6H-cyclopenta[b]pyridine;1,7-dimethyl-6H-cyclopenta[c]pyridine;4,5-dimethyl-6H-cyclopenta[c]pyridine;1,7-dimethyl-2H-indene;ethane.
What is the SMILES notation for 4,5-dimethyl-6H-cyclopenta[b]pyridine;1,7-dimethyl-6H-cyclopenta[c]pyridine;4,5-dimethyl-6H-cyclopenta[c]pyridine;1,7-dimethyl-2H-indene;ethane?
The canonical SMILES for 4,5-dimethyl-6H-cyclopenta[b]pyridine;1,7-dimethyl-6H-cyclopenta[c]pyridine;4,5-dimethyl-6H-cyclopenta[c]pyridine;1,7-dimethyl-2H-indene;ethane is CC.CC.CC.CC.CC1=c2c(C)cccc2=CC1.CC1=c2c(C)ccnc2=CC1.CC1=c2c(C)cncc2=CC1.CC1=c2c(C)nccc2=CC1.
What is the InChIKey of 4,5-dimethyl-6H-cyclopenta[b]pyridine;1,7-dimethyl-6H-cyclopenta[c]pyridine;4,5-dimethyl-6H-cyclopenta[c]pyridine;1,7-dimethyl-2H-indene;ethane?
The InChIKey is FWGDVXWQPSQGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12.3C10H11N.4C2H6/c1-8-4-3-5-10-7-6-9(2)11(8)10;1-7-3-4-9-6-11-5-8(2)10(7)9;1-7-3-4-9-5-6-11-8(2)10(7)9;1-7-3-4-9-10(7)8(2)5-6-11-9;4*1-2/h3-5,7H,6H2,1-2H3;3*4-6H,3H2,1-2H3;4*1-2H3.
What are the key properties of 4,5-dimethyl-6H-cyclopenta[b]pyridine;1,7-dimethyl-6H-cyclopenta[c]pyridine;4,5-dimethyl-6H-cyclopenta[c]pyridine;1,7-dimethyl-2H-indene;ethane?
4,5-dimethyl-6H-cyclopenta[b]pyridine;1,7-dimethyl-6H-cyclopenta[c]pyridine;4,5-dimethyl-6H-cyclopenta[c]pyridine;1,7-dimethyl-2H-indene;ethane has a molecular weight of 700.11 g/mol, XLogP of 7.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6H-cyclopenta[b]pyridine;1,7-dimethyl-6H-cyclopenta[c]pyridine;4,5-dimethyl-6H-cyclopenta[c]pyridine;1,7-dimethyl-2H-indene;ethane is sourced from PubChem (CID 158160822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).