(2,6-dimethyl-3-pyridinyl)-(2-phenylcyclopropyl)methanone

C17H17NO — CID 105134802

IUPAC(2,6-dimethyl-3-pyridinyl)-(2-phenylcyclopropyl)methanone
SMILESCc1ccc(C(=O)C2CC2c2ccccc2)c(C)n1
InChIInChI=1S/C17H17NO/c1-11-8-9-14(12(2)18-11)17(19)16-10-15(16)13-6-4-3-5-7-13/h3-9,15-16H,10H2,1-2H3
InChIKeyGYSZVNTUMNXENN-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.68
Rot. Bonds3

About (2,6-dimethyl-3-pyridinyl)-(2-phenylcyclopropyl)methanone

(2,6-dimethyl-3-pyridinyl)-(2-phenylcyclopropyl)methanone (PubChem CID 105134802) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-(2-phenylcyclopropyl)methanone
PubChem CID105134802
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(2,6-dimethyl-3-pyridinyl)-(2-phenylcyclopropyl)methanone
SMILESCc1ccc(C(=O)C2CC2c2ccccc2)c(C)n1
InChIInChI=1S/C17H17NO/c1-11-8-9-14(12(2)18-11)17(19)16-10-15(16)13-6-4-3-5-7-13/h3-9,15-16H,10H2,1-2H3
InChIKeyGYSZVNTUMNXENN-UHFFFAOYSA-N
XLogP3.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-(2-phenylcyclopropyl)methanone?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-(2-phenylcyclopropyl)methanone (CID 105134802) is (2,6-dimethyl-3-pyridinyl)-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-(2-phenylcyclopropyl)methanone?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-(2-phenylcyclopropyl)methanone is Cc1ccc(C(=O)C2CC2c2ccccc2)c(C)n1.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-(2-phenylcyclopropyl)methanone?
The InChIKey is GYSZVNTUMNXENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-11-8-9-14(12(2)18-11)17(19)16-10-15(16)13-6-4-3-5-7-13/h3-9,15-16H,10H2,1-2H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-(2-phenylcyclopropyl)methanone?
(2,6-dimethyl-3-pyridinyl)-(2-phenylcyclopropyl)methanone has a molecular weight of 251.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-pyridinyl)-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 105134802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).