5-methyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine

C9H13N — CID 89185960

IUPAC5-methyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine
SMILESCC1CCC2=C1CCC=N2
InChIInChI=1S/C9H13N/c1-7-4-5-9-8(7)3-2-6-10-9/h6-7H,2-5H2,1H3
InChIKeyRDEAHGDWKVVHLS-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.54
Rot. Bonds

About 5-methyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine

5-methyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine (PubChem CID 89185960) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 5-methyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name5-methyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine
PubChem CID89185960
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name5-methyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine
SMILESCC1CCC2=C1CCC=N2
InChIInChI=1S/C9H13N/c1-7-4-5-9-8(7)3-2-6-10-9/h6-7H,2-5H2,1H3
InChIKeyRDEAHGDWKVVHLS-UHFFFAOYSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 20187842
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CID 59152625
5-[(3-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152633
4,5,6,7-tetrahydro-3H-indole-5,7-diide;bis(yttrium)
CID 59475941
CID 60023992
CID 60023992
5-[(3-ethylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 68011916
5-ethyl-4,5,6,7-tetrahydro-3H-indole
CID 68040987
4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine
CID 68209656
3,5-dimethyl-4-propyl-3H-pyrrole
CID 69174213
5-methyl-4,5,6,7-tetrahydro-3H-indole
CID 70571864
6,7-Dimethyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene
CID 88563171

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine?
The IUPAC name of 5-methyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine (CID 89185960) is 5-methyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine.
What is the SMILES notation for 5-methyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine?
The canonical SMILES for 5-methyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine is CC1CCC2=C1CCC=N2.
What is the InChIKey of 5-methyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine?
The InChIKey is RDEAHGDWKVVHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7-4-5-9-8(7)3-2-6-10-9/h6-7H,2-5H2,1H3.
What are the key properties of 5-methyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine?
5-methyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine has a molecular weight of 135.21 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine is sourced from PubChem (CID 89185960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).