1,3-dimethyl-7,7a-dihydro-1H-cyclopenta[c]pyridine

C10H13N — CID 90876564

IUPAC1,3-dimethyl-7,7a-dihydro-1H-cyclopenta[c]pyridine
SMILESCC1=NC(C)C2CC=CC2=C1
InChIInChI=1S/C10H13N/c1-7-6-9-4-3-5-10(9)8(2)11-7/h3-4,6,8,10H,5H2,1-2H3
InChIKeyNWVQOPMAWVYUMU-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.35
Rot. Bonds

About 1,3-dimethyl-7,7a-dihydro-1H-cyclopenta[c]pyridine

1,3-dimethyl-7,7a-dihydro-1H-cyclopenta[c]pyridine (PubChem CID 90876564) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 1,3-dimethyl-7,7a-dihydro-1H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name1,3-dimethyl-7,7a-dihydro-1H-cyclopenta[c]pyridine
PubChem CID90876564
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name1,3-dimethyl-7,7a-dihydro-1H-cyclopenta[c]pyridine
SMILESCC1=NC(C)C2CC=CC2=C1
InChIInChI=1S/C10H13N/c1-7-6-9-4-3-5-10(9)8(2)11-7/h3-4,6,8,10H,5H2,1-2H3
InChIKeyNWVQOPMAWVYUMU-UHFFFAOYSA-N
XLogP2.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7,7a-dihydro-1H-cyclopenta[c]pyridine?
The IUPAC name of 1,3-dimethyl-7,7a-dihydro-1H-cyclopenta[c]pyridine (CID 90876564) is 1,3-dimethyl-7,7a-dihydro-1H-cyclopenta[c]pyridine.
What is the SMILES notation for 1,3-dimethyl-7,7a-dihydro-1H-cyclopenta[c]pyridine?
The canonical SMILES for 1,3-dimethyl-7,7a-dihydro-1H-cyclopenta[c]pyridine is CC1=NC(C)C2CC=CC2=C1.
What is the InChIKey of 1,3-dimethyl-7,7a-dihydro-1H-cyclopenta[c]pyridine?
The InChIKey is NWVQOPMAWVYUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-7-6-9-4-3-5-10(9)8(2)11-7/h3-4,6,8,10H,5H2,1-2H3.
What are the key properties of 1,3-dimethyl-7,7a-dihydro-1H-cyclopenta[c]pyridine?
1,3-dimethyl-7,7a-dihydro-1H-cyclopenta[c]pyridine has a molecular weight of 147.22 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7,7a-dihydro-1H-cyclopenta[c]pyridine is sourced from PubChem (CID 90876564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).