5-cyclopropyl-2-methyl-2,3-dihydropyridine

C9H13N — CID 88986990

IUPAC5-cyclopropyl-2-methyl-2,3-dihydropyridine
SMILESCC1CC=C(C2CC2)C=N1
InChIInChI=1S/C9H13N/c1-7-2-3-9(6-10-7)8-4-5-8/h3,6-8H,2,4-5H2,1H3
InChIKeyRTXYUBUVIPPJTR-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.19
Rot. Bonds1

About 5-cyclopropyl-2-methyl-2,3-dihydropyridine

5-cyclopropyl-2-methyl-2,3-dihydropyridine (PubChem CID 88986990) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 5-cyclopropyl-2-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-cyclopropyl-2-methyl-2,3-dihydropyridine
PubChem CID88986990
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name5-cyclopropyl-2-methyl-2,3-dihydropyridine
SMILESCC1CC=C(C2CC2)C=N1
InChIInChI=1S/C9H13N/c1-7-2-3-9(6-10-7)8-4-5-8/h3,6-8H,2,4-5H2,1H3
InChIKeyRTXYUBUVIPPJTR-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methyl-2,3-dihydropyridine?
The IUPAC name of 5-cyclopropyl-2-methyl-2,3-dihydropyridine (CID 88986990) is 5-cyclopropyl-2-methyl-2,3-dihydropyridine.
What is the SMILES notation for 5-cyclopropyl-2-methyl-2,3-dihydropyridine?
The canonical SMILES for 5-cyclopropyl-2-methyl-2,3-dihydropyridine is CC1CC=C(C2CC2)C=N1.
What is the InChIKey of 5-cyclopropyl-2-methyl-2,3-dihydropyridine?
The InChIKey is RTXYUBUVIPPJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7-2-3-9(6-10-7)8-4-5-8/h3,6-8H,2,4-5H2,1H3.
What are the key properties of 5-cyclopropyl-2-methyl-2,3-dihydropyridine?
5-cyclopropyl-2-methyl-2,3-dihydropyridine has a molecular weight of 135.21 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methyl-2,3-dihydropyridine is sourced from PubChem (CID 88986990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).