3-(3-methyl-2-pyridinyl)propyl acetate

C11H15NO2 — CID 90669003

IUPAC3-(3-methyl-2-pyridinyl)propyl acetate
SMILESCC(=O)OCCCc1ncccc1C
InChIInChI=1S/C11H15NO2/c1-9-5-3-7-12-11(9)6-4-8-14-10(2)13/h3,5,7H,4,6,8H2,1-2H3
InChIKeyMRIGPGKUJNQHAI-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.89
Rot. Bonds4

About 3-(3-methyl-2-pyridinyl)propyl acetate

3-(3-methyl-2-pyridinyl)propyl acetate (PubChem CID 90669003) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(3-methyl-2-pyridinyl)propyl acetate.

Molecular Properties

Compound Name3-(3-methyl-2-pyridinyl)propyl acetate
PubChem CID90669003
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(3-methyl-2-pyridinyl)propyl acetate
SMILESCC(=O)OCCCc1ncccc1C
InChIInChI=1S/C11H15NO2/c1-9-5-3-7-12-11(9)6-4-8-14-10(2)13/h3,5,7H,4,6,8H2,1-2H3
InChIKeyMRIGPGKUJNQHAI-UHFFFAOYSA-N
XLogP1.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-pyridinyl)propyl acetate?
The IUPAC name of 3-(3-methyl-2-pyridinyl)propyl acetate (CID 90669003) is 3-(3-methyl-2-pyridinyl)propyl acetate.
What is the SMILES notation for 3-(3-methyl-2-pyridinyl)propyl acetate?
The canonical SMILES for 3-(3-methyl-2-pyridinyl)propyl acetate is CC(=O)OCCCc1ncccc1C.
What is the InChIKey of 3-(3-methyl-2-pyridinyl)propyl acetate?
The InChIKey is MRIGPGKUJNQHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9-5-3-7-12-11(9)6-4-8-14-10(2)13/h3,5,7H,4,6,8H2,1-2H3.
What are the key properties of 3-(3-methyl-2-pyridinyl)propyl acetate?
3-(3-methyl-2-pyridinyl)propyl acetate has a molecular weight of 193.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-pyridinyl)propyl acetate is sourced from PubChem (CID 90669003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).