1-cyclopenta[b]pyran-4-yl-3,6-dihydro-2H-pyridine

C13H13NO — CID 70346186

IUPAC1-cyclopenta[b]pyran-4-yl-3,6-dihydro-2H-pyridine
SMILESC1=CCN(c2ccoc3cccc2-3)CC1
InChIInChI=1S/C13H13NO/c1-2-8-14(9-3-1)12-7-10-15-13-6-4-5-11(12)13/h1-2,4-7,10H,3,8-9H2
InChIKeyOIFTWXSHKJPRGM-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.15
Rot. Bonds1

About 1-cyclopenta[b]pyran-4-yl-3,6-dihydro-2H-pyridine

1-cyclopenta[b]pyran-4-yl-3,6-dihydro-2H-pyridine (PubChem CID 70346186) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-cyclopenta[b]pyran-4-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-cyclopenta[b]pyran-4-yl-3,6-dihydro-2H-pyridine
PubChem CID70346186
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name1-cyclopenta[b]pyran-4-yl-3,6-dihydro-2H-pyridine
SMILESC1=CCN(c2ccoc3cccc2-3)CC1
InChIInChI=1S/C13H13NO/c1-2-8-14(9-3-1)12-7-10-15-13-6-4-5-11(12)13/h1-2,4-7,10H,3,8-9H2
InChIKeyOIFTWXSHKJPRGM-UHFFFAOYSA-N
XLogP3.15
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta[b]pyran-4-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-cyclopenta[b]pyran-4-yl-3,6-dihydro-2H-pyridine (CID 70346186) is 1-cyclopenta[b]pyran-4-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-cyclopenta[b]pyran-4-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-cyclopenta[b]pyran-4-yl-3,6-dihydro-2H-pyridine is C1=CCN(c2ccoc3cccc2-3)CC1.
What is the InChIKey of 1-cyclopenta[b]pyran-4-yl-3,6-dihydro-2H-pyridine?
The InChIKey is OIFTWXSHKJPRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-8-14(9-3-1)12-7-10-15-13-6-4-5-11(12)13/h1-2,4-7,10H,3,8-9H2.
What are the key properties of 1-cyclopenta[b]pyran-4-yl-3,6-dihydro-2H-pyridine?
1-cyclopenta[b]pyran-4-yl-3,6-dihydro-2H-pyridine has a molecular weight of 199.25 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta[b]pyran-4-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 70346186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).