5-cyclopentyl-1,2-dihydropyridine

C10H15N — CID 138633756

IUPAC5-cyclopentyl-1,2-dihydropyridine
SMILESC1=CC(C2CCCC2)=CNC1
InChIInChI=1S/C10H15N/c1-2-5-9(4-1)10-6-3-7-11-8-10/h3,6,8-9,11H,1-2,4-5,7H2
InChIKeyIBXSSWKYMXUVQX-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.22
Rot. Bonds1

About 5-cyclopentyl-1,2-dihydropyridine

5-cyclopentyl-1,2-dihydropyridine (PubChem CID 138633756) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 5-cyclopentyl-1,2-dihydropyridine.

Molecular Properties

Compound Name5-cyclopentyl-1,2-dihydropyridine
PubChem CID138633756
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name5-cyclopentyl-1,2-dihydropyridine
SMILESC1=CC(C2CCCC2)=CNC1
InChIInChI=1S/C10H15N/c1-2-5-9(4-1)10-6-3-7-11-8-10/h3,6,8-9,11H,1-2,4-5,7H2
InChIKeyIBXSSWKYMXUVQX-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1,2-dihydropyridine?
The IUPAC name of 5-cyclopentyl-1,2-dihydropyridine (CID 138633756) is 5-cyclopentyl-1,2-dihydropyridine.
What is the SMILES notation for 5-cyclopentyl-1,2-dihydropyridine?
The canonical SMILES for 5-cyclopentyl-1,2-dihydropyridine is C1=CC(C2CCCC2)=CNC1.
What is the InChIKey of 5-cyclopentyl-1,2-dihydropyridine?
The InChIKey is IBXSSWKYMXUVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-2-5-9(4-1)10-6-3-7-11-8-10/h3,6,8-9,11H,1-2,4-5,7H2.
What are the key properties of 5-cyclopentyl-1,2-dihydropyridine?
5-cyclopentyl-1,2-dihydropyridine has a molecular weight of 149.24 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1,2-dihydropyridine is sourced from PubChem (CID 138633756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).