1-[(3-methylcyclobutyl)methyl]-2-pent-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine

C18H26N2 — CID 166764245

IUPAC1-[(3-methylcyclobutyl)methyl]-2-pent-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine
SMILESC=C(CCC)c1cc2c(n1CC1CC(C)C1)=NCCC=2
InChIInChI=1S/C18H26N2/c1-4-6-14(3)17-11-16-7-5-8-19-18(16)20(17)12-15-9-13(2)10-15/h7,11,13,15H,3-6,8-10,12H2,1-2H3
InChIKeyAVHXYINTIHFEJX-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.15
Rot. Bonds5

About 1-[(3-methylcyclobutyl)methyl]-2-pent-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine

1-[(3-methylcyclobutyl)methyl]-2-pent-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine (PubChem CID 166764245) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[(3-methylcyclobutyl)methyl]-2-pent-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[(3-methylcyclobutyl)methyl]-2-pent-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine
PubChem CID166764245
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-[(3-methylcyclobutyl)methyl]-2-pent-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine
SMILESC=C(CCC)c1cc2c(n1CC1CC(C)C1)=NCCC=2
InChIInChI=1S/C18H26N2/c1-4-6-14(3)17-11-16-7-5-8-19-18(16)20(17)12-15-9-13(2)10-15/h7,11,13,15H,3-6,8-10,12H2,1-2H3
InChIKeyAVHXYINTIHFEJX-UHFFFAOYSA-N
XLogP3.15
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclobutyl)methyl]-2-pent-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[(3-methylcyclobutyl)methyl]-2-pent-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine (CID 166764245) is 1-[(3-methylcyclobutyl)methyl]-2-pent-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[(3-methylcyclobutyl)methyl]-2-pent-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[(3-methylcyclobutyl)methyl]-2-pent-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine is C=C(CCC)c1cc2c(n1CC1CC(C)C1)=NCCC=2.
What is the InChIKey of 1-[(3-methylcyclobutyl)methyl]-2-pent-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is AVHXYINTIHFEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-4-6-14(3)17-11-16-7-5-8-19-18(16)20(17)12-15-9-13(2)10-15/h7,11,13,15H,3-6,8-10,12H2,1-2H3.
What are the key properties of 1-[(3-methylcyclobutyl)methyl]-2-pent-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine?
1-[(3-methylcyclobutyl)methyl]-2-pent-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 270.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclobutyl)methyl]-2-pent-1-en-2-yl-5,6-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 166764245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).