4-cyclopropyl-2,5-dihydropyridine

C8H11N — CID 57099917

IUPAC4-cyclopropyl-2,5-dihydropyridine
SMILESC1=NCC=C(C2CC2)C1
InChIInChI=1S/C8H11N/c1-2-7(1)8-3-5-9-6-4-8/h3,6-7H,1-2,4-5H2
InChIKeyOWZIOEDCOBEKEX-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.80
Rot. Bonds1

About 4-cyclopropyl-2,5-dihydropyridine

4-cyclopropyl-2,5-dihydropyridine (PubChem CID 57099917) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 4-cyclopropyl-2,5-dihydropyridine.

Molecular Properties

Compound Name4-cyclopropyl-2,5-dihydropyridine
PubChem CID57099917
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name4-cyclopropyl-2,5-dihydropyridine
SMILESC1=NCC=C(C2CC2)C1
InChIInChI=1S/C8H11N/c1-2-7(1)8-3-5-9-6-4-8/h3,6-7H,1-2,4-5H2
InChIKeyOWZIOEDCOBEKEX-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

2-Cyclopropyl-2,5-dihydropyridine
CID 54163106
3-Cyclopropyl-2,5-dihydropyridine
CID 57027550
4-Cyclobutyl-2,5-dihydropyridine
CID 57080899
4,6,7,8,9,9a-hexahydro-3H-2-benzazepine
CID 67535755
3,5,8,8a-Tetrahydroisoquinoline
CID 91387074
3,5,6,8a-Tetrahydroisoquinoline
CID 91438184
3,5,6,7,8,8a-Hexahydroisoquinoline
CID 91488395
Dimethyl-[4-(2-methylcyclopropyl)pent-3-enylidene]azanium
CID 123712231
(E)-N,2-dimethyl-3-propylhex-3-en-1-imine
CID 134478046
3,7-dimethyl-N-prop-2-enyloct-6-en-1-imine
CID 138519610
5-(2-Methylprop-2-enyl)-2,5-dihydropyridine
CID 140265395
4-(2-Methylprop-2-enyl)-2,5-dihydropyridine
CID 140273613

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2,5-dihydropyridine?
The IUPAC name of 4-cyclopropyl-2,5-dihydropyridine (CID 57099917) is 4-cyclopropyl-2,5-dihydropyridine.
What is the SMILES notation for 4-cyclopropyl-2,5-dihydropyridine?
The canonical SMILES for 4-cyclopropyl-2,5-dihydropyridine is C1=NCC=C(C2CC2)C1.
What is the InChIKey of 4-cyclopropyl-2,5-dihydropyridine?
The InChIKey is OWZIOEDCOBEKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-7(1)8-3-5-9-6-4-8/h3,6-7H,1-2,4-5H2.
What are the key properties of 4-cyclopropyl-2,5-dihydropyridine?
4-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 4-cyclopropyl-2,5-dihydropyridine is sourced from PubChem (CID 57099917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).