3-(cyclobuten-1-yl)-5-methyl-2,3-dihydropyridine

C10H13N — CID 170382006

IUPAC3-(cyclobuten-1-yl)-5-methyl-2,3-dihydropyridine
SMILESCC1=CC(C2=CCC2)CN=C1
InChIInChI=1S/C10H13N/c1-8-5-10(7-11-6-8)9-3-2-4-9/h3,5-6,10H,2,4,7H2,1H3
InChIKeyCGZQGZISTWCTLR-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.35
Rot. Bonds1

About 3-(cyclobuten-1-yl)-5-methyl-2,3-dihydropyridine

3-(cyclobuten-1-yl)-5-methyl-2,3-dihydropyridine (PubChem CID 170382006) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3-(cyclobuten-1-yl)-5-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name3-(cyclobuten-1-yl)-5-methyl-2,3-dihydropyridine
PubChem CID170382006
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3-(cyclobuten-1-yl)-5-methyl-2,3-dihydropyridine
SMILESCC1=CC(C2=CCC2)CN=C1
InChIInChI=1S/C10H13N/c1-8-5-10(7-11-6-8)9-3-2-4-9/h3,5-6,10H,2,4,7H2,1H3
InChIKeyCGZQGZISTWCTLR-UHFFFAOYSA-N
XLogP2.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobuten-1-yl)-5-methyl-2,3-dihydropyridine?
The IUPAC name of 3-(cyclobuten-1-yl)-5-methyl-2,3-dihydropyridine (CID 170382006) is 3-(cyclobuten-1-yl)-5-methyl-2,3-dihydropyridine.
What is the SMILES notation for 3-(cyclobuten-1-yl)-5-methyl-2,3-dihydropyridine?
The canonical SMILES for 3-(cyclobuten-1-yl)-5-methyl-2,3-dihydropyridine is CC1=CC(C2=CCC2)CN=C1.
What is the InChIKey of 3-(cyclobuten-1-yl)-5-methyl-2,3-dihydropyridine?
The InChIKey is CGZQGZISTWCTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-8-5-10(7-11-6-8)9-3-2-4-9/h3,5-6,10H,2,4,7H2,1H3.
What are the key properties of 3-(cyclobuten-1-yl)-5-methyl-2,3-dihydropyridine?
3-(cyclobuten-1-yl)-5-methyl-2,3-dihydropyridine has a molecular weight of 147.22 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobuten-1-yl)-5-methyl-2,3-dihydropyridine is sourced from PubChem (CID 170382006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).