3-cyclopropyl-6-methyl-1,2-dihydropyridine

C9H13N — CID 67962666

IUPAC3-cyclopropyl-6-methyl-1,2-dihydropyridine
SMILESCC1=CC=C(C2CC2)CN1
InChIInChI=1S/C9H13N/c1-7-2-3-9(6-10-7)8-4-5-8/h2-3,8,10H,4-6H2,1H3
InChIKeyFJUUHSDNYDNSNA-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.83
Rot. Bonds1

About 3-cyclopropyl-6-methyl-1,2-dihydropyridine

3-cyclopropyl-6-methyl-1,2-dihydropyridine (PubChem CID 67962666) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-cyclopropyl-6-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-cyclopropyl-6-methyl-1,2-dihydropyridine
PubChem CID67962666
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name3-cyclopropyl-6-methyl-1,2-dihydropyridine
SMILESCC1=CC=C(C2CC2)CN1
InChIInChI=1S/C9H13N/c1-7-2-3-9(6-10-7)8-4-5-8/h2-3,8,10H,4-6H2,1H3
InChIKeyFJUUHSDNYDNSNA-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-methyl-1,2-dihydropyridine?
The IUPAC name of 3-cyclopropyl-6-methyl-1,2-dihydropyridine (CID 67962666) is 3-cyclopropyl-6-methyl-1,2-dihydropyridine.
What is the SMILES notation for 3-cyclopropyl-6-methyl-1,2-dihydropyridine?
The canonical SMILES for 3-cyclopropyl-6-methyl-1,2-dihydropyridine is CC1=CC=C(C2CC2)CN1.
What is the InChIKey of 3-cyclopropyl-6-methyl-1,2-dihydropyridine?
The InChIKey is FJUUHSDNYDNSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7-2-3-9(6-10-7)8-4-5-8/h2-3,8,10H,4-6H2,1H3.
What are the key properties of 3-cyclopropyl-6-methyl-1,2-dihydropyridine?
3-cyclopropyl-6-methyl-1,2-dihydropyridine has a molecular weight of 135.21 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-methyl-1,2-dihydropyridine is sourced from PubChem (CID 67962666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).