3-cyclopropyl-2,5-dihydropyridine

C8H11N — CID 57027550

IUPAC3-cyclopropyl-2,5-dihydropyridine
SMILESC1=NCC(C2CC2)=CC1
InChIInChI=1S/C8H11N/c1-2-8(6-9-5-1)7-3-4-7/h2,5,7H,1,3-4,6H2
InChIKeyNZMYDYOHUWIQBJ-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.80
Rot. Bonds1

About 3-cyclopropyl-2,5-dihydropyridine

3-cyclopropyl-2,5-dihydropyridine (PubChem CID 57027550) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 3-cyclopropyl-2,5-dihydropyridine.

Molecular Properties

Compound Name3-cyclopropyl-2,5-dihydropyridine
PubChem CID57027550
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name3-cyclopropyl-2,5-dihydropyridine
SMILESC1=NCC(C2CC2)=CC1
InChIInChI=1S/C8H11N/c1-2-8(6-9-5-1)7-3-4-7/h2,5,7H,1,3-4,6H2
InChIKeyNZMYDYOHUWIQBJ-UHFFFAOYSA-N
XLogP1.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
2-Cyclopropyl-2,5-dihydropyridine
CID 54163106
3-Cyclobutyl-2,5-dihydropyridine
CID 57006767
3,5-Diethyl-2,5-dihydropyridine
CID 57046703
4-Cyclopropyl-2,5-dihydropyridine
CID 57099917
3a,6-dihydro-1H-isoindole
CID 57205268
5,6-dimethyl-3-propyl-5,6-dihydro-2H-azepine
CID 90823234
3,4,6,8a-Tetrahydroisoquinoline
CID 91461835
1,4,6,8a-Tetrahydroisoquinoline
CID 91591645
5-Methyl-3-azabicyclo[5.1.0]octa-3,5-diene
CID 123894344
4-[(Z)-but-2-enyl]-3-methylidene-2,4-dihydropyrrole
CID 130413605
5-(2-Methylprop-2-enyl)-2,5-dihydropyridine
CID 140265395

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2,5-dihydropyridine?
The IUPAC name of 3-cyclopropyl-2,5-dihydropyridine (CID 57027550) is 3-cyclopropyl-2,5-dihydropyridine.
What is the SMILES notation for 3-cyclopropyl-2,5-dihydropyridine?
The canonical SMILES for 3-cyclopropyl-2,5-dihydropyridine is C1=NCC(C2CC2)=CC1.
What is the InChIKey of 3-cyclopropyl-2,5-dihydropyridine?
The InChIKey is NZMYDYOHUWIQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-8(6-9-5-1)7-3-4-7/h2,5,7H,1,3-4,6H2.
What are the key properties of 3-cyclopropyl-2,5-dihydropyridine?
3-cyclopropyl-2,5-dihydropyridine has a molecular weight of 121.18 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2,5-dihydropyridine is sourced from PubChem (CID 57027550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).