4-isocyano-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine

C11H12N2 — CID 176758527

IUPAC4-isocyano-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILES[C-]#[N+]c1c(C)nc(C)c2c1CCC2
InChIInChI=1S/C11H12N2/c1-7-9-5-4-6-10(9)11(12-3)8(2)13-7/h4-6H2,1-2H3
InChIKeyOUZNJMGWOWLWCF-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.74
Rot. Bonds

About 4-isocyano-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine

4-isocyano-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine (PubChem CID 176758527) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-isocyano-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name4-isocyano-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
PubChem CID176758527
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name4-isocyano-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILES[C-]#[N+]c1c(C)nc(C)c2c1CCC2
InChIInChI=1S/C11H12N2/c1-7-9-5-4-6-10(9)11(12-3)8(2)13-7/h4-6H2,1-2H3
InChIKeyOUZNJMGWOWLWCF-UHFFFAOYSA-N
XLogP2.74
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-isocyano-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The IUPAC name of 4-isocyano-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine (CID 176758527) is 4-isocyano-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine.
What is the SMILES notation for 4-isocyano-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The canonical SMILES for 4-isocyano-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine is [C-]#[N+]c1c(C)nc(C)c2c1CCC2.
What is the InChIKey of 4-isocyano-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The InChIKey is OUZNJMGWOWLWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-7-9-5-4-6-10(9)11(12-3)8(2)13-7/h4-6H2,1-2H3.
What are the key properties of 4-isocyano-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
4-isocyano-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine has a molecular weight of 172.23 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isocyano-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 176758527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).