cyclopropyl(pyridin-3-yl)methanone

C9H9NO — CID 571581

IUPACcyclopropyl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)C1CC1
InChIInChI=1S/C9H9NO/c11-9(7-3-4-7)8-2-1-5-10-6-8/h1-2,5-7H,3-4H2
InChIKeyOEZHRMMVHKXDSX-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.67
Rot. Bonds2

About cyclopropyl(pyridin-3-yl)methanone

cyclopropyl(pyridin-3-yl)methanone (PubChem CID 571581) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is cyclopropyl(pyridin-3-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(pyridin-3-yl)methanone
PubChem CID571581
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Namecyclopropyl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)C1CC1
InChIInChI=1S/C9H9NO/c11-9(7-3-4-7)8-2-1-5-10-6-8/h1-2,5-7H,3-4H2
InChIKeyOEZHRMMVHKXDSX-UHFFFAOYSA-N
XLogP1.67
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(pyridin-3-yl)methanone?
The IUPAC name of cyclopropyl(pyridin-3-yl)methanone (CID 571581) is cyclopropyl(pyridin-3-yl)methanone.
What is the SMILES notation for cyclopropyl(pyridin-3-yl)methanone?
The canonical SMILES for cyclopropyl(pyridin-3-yl)methanone is O=C(c1cccnc1)C1CC1.
What is the InChIKey of cyclopropyl(pyridin-3-yl)methanone?
The InChIKey is OEZHRMMVHKXDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-9(7-3-4-7)8-2-1-5-10-6-8/h1-2,5-7H,3-4H2.
What are the key properties of cyclopropyl(pyridin-3-yl)methanone?
cyclopropyl(pyridin-3-yl)methanone has a molecular weight of 147.18 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(pyridin-3-yl)methanone is sourced from PubChem (CID 571581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).