6-cyclopropyl-1,2-dihydropyridine

C8H11N — CID 19606175

IUPAC6-cyclopropyl-1,2-dihydropyridine
SMILESC1=CCNC(C2CC2)=C1
InChIInChI=1S/C8H11N/c1-2-6-9-8(3-1)7-4-5-7/h1-3,7,9H,4-6H2
InChIKeySKIJIHFVBNAZFF-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.44
Rot. Bonds1

About 6-cyclopropyl-1,2-dihydropyridine

6-cyclopropyl-1,2-dihydropyridine (PubChem CID 19606175) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 6-cyclopropyl-1,2-dihydropyridine.

Molecular Properties

Compound Name6-cyclopropyl-1,2-dihydropyridine
PubChem CID19606175
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name6-cyclopropyl-1,2-dihydropyridine
SMILESC1=CCNC(C2CC2)=C1
InChIInChI=1S/C8H11N/c1-2-6-9-8(3-1)7-4-5-7/h1-3,7,9H,4-6H2
InChIKeySKIJIHFVBNAZFF-UHFFFAOYSA-N
XLogP1.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1,2-dihydropyridine?
The IUPAC name of 6-cyclopropyl-1,2-dihydropyridine (CID 19606175) is 6-cyclopropyl-1,2-dihydropyridine.
What is the SMILES notation for 6-cyclopropyl-1,2-dihydropyridine?
The canonical SMILES for 6-cyclopropyl-1,2-dihydropyridine is C1=CCNC(C2CC2)=C1.
What is the InChIKey of 6-cyclopropyl-1,2-dihydropyridine?
The InChIKey is SKIJIHFVBNAZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-6-9-8(3-1)7-4-5-7/h1-3,7,9H,4-6H2.
What are the key properties of 6-cyclopropyl-1,2-dihydropyridine?
6-cyclopropyl-1,2-dihydropyridine has a molecular weight of 121.18 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1,2-dihydropyridine is sourced from PubChem (CID 19606175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).