1-(6-cyclopropyl-3-pyridinyl)propan-2-one

C11H13NO — CID 83827442

IUPAC1-(6-cyclopropyl-3-pyridinyl)propan-2-one
SMILESCC(=O)Cc1ccc(C2CC2)nc1
InChIInChI=1S/C11H13NO/c1-8(13)6-9-2-5-11(12-7-9)10-3-4-10/h2,5,7,10H,3-4,6H2,1H3
InChIKeySEDAMPBCRKBRGB-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.09
Rot. Bonds3

About 1-(6-cyclopropyl-3-pyridinyl)propan-2-one

1-(6-cyclopropyl-3-pyridinyl)propan-2-one (PubChem CID 83827442) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(6-cyclopropyl-3-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(6-cyclopropyl-3-pyridinyl)propan-2-one
PubChem CID83827442
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-(6-cyclopropyl-3-pyridinyl)propan-2-one
SMILESCC(=O)Cc1ccc(C2CC2)nc1
InChIInChI=1S/C11H13NO/c1-8(13)6-9-2-5-11(12-7-9)10-3-4-10/h2,5,7,10H,3-4,6H2,1H3
InChIKeySEDAMPBCRKBRGB-UHFFFAOYSA-N
XLogP2.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropyl-3-pyridinyl)propan-2-one?
The IUPAC name of 1-(6-cyclopropyl-3-pyridinyl)propan-2-one (CID 83827442) is 1-(6-cyclopropyl-3-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(6-cyclopropyl-3-pyridinyl)propan-2-one?
The canonical SMILES for 1-(6-cyclopropyl-3-pyridinyl)propan-2-one is CC(=O)Cc1ccc(C2CC2)nc1.
What is the InChIKey of 1-(6-cyclopropyl-3-pyridinyl)propan-2-one?
The InChIKey is SEDAMPBCRKBRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8(13)6-9-2-5-11(12-7-9)10-3-4-10/h2,5,7,10H,3-4,6H2,1H3.
What are the key properties of 1-(6-cyclopropyl-3-pyridinyl)propan-2-one?
1-(6-cyclopropyl-3-pyridinyl)propan-2-one has a molecular weight of 175.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropyl-3-pyridinyl)propan-2-one is sourced from PubChem (CID 83827442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).