2-isocyano-4,5,7-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine

C12H14N2 — CID 88934841

IUPAC2-isocyano-4,5,7-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILES[C-]#[N+]c1cc(C)c2c(n1)C(C)CC2C
InChIInChI=1S/C12H14N2/c1-7-5-9(3)12-11(7)8(2)6-10(13-4)14-12/h6-7,9H,5H2,1-3H3
InChIKeyRGJGCKQGMWKLJC-UHFFFAOYSA-N
MW186.26 g/mol
LogP3.55
Rot. Bonds

About 2-isocyano-4,5,7-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine

2-isocyano-4,5,7-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 88934841) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-isocyano-4,5,7-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2-isocyano-4,5,7-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID88934841
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-isocyano-4,5,7-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILES[C-]#[N+]c1cc(C)c2c(n1)C(C)CC2C
InChIInChI=1S/C12H14N2/c1-7-5-9(3)12-11(7)8(2)6-10(13-4)14-12/h6-7,9H,5H2,1-3H3
InChIKeyRGJGCKQGMWKLJC-UHFFFAOYSA-N
XLogP3.55
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-isocyano-4,5,7-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-isocyano-4,5,7-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 2-isocyano-4,5,7-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 88934841) is 2-isocyano-4,5,7-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 2-isocyano-4,5,7-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 2-isocyano-4,5,7-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine is [C-]#[N+]c1cc(C)c2c(n1)C(C)CC2C.
What is the InChIKey of 2-isocyano-4,5,7-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is RGJGCKQGMWKLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-7-5-9(3)12-11(7)8(2)6-10(13-4)14-12/h6-7,9H,5H2,1-3H3.
What are the key properties of 2-isocyano-4,5,7-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
2-isocyano-4,5,7-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 186.26 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-4,5,7-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 88934841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).