3-(2-cyclopropylcyclopropyl)-1H-pyridin-2-one

C11H13NO — CID 68788843

IUPAC3-(2-cyclopropylcyclopropyl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1C1CC1C1CC1
InChIInChI=1S/C11H13NO/c13-11-8(2-1-5-12-11)10-6-9(10)7-3-4-7/h1-2,5,7,9-10H,3-4,6H2,(H,12,13)
InChIKeyHMGAKXVIIARPLI-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.89
Rot. Bonds2

About 3-(2-cyclopropylcyclopropyl)-1H-pyridin-2-one

3-(2-cyclopropylcyclopropyl)-1H-pyridin-2-one (PubChem CID 68788843) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(2-cyclopropylcyclopropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-cyclopropylcyclopropyl)-1H-pyridin-2-one
PubChem CID68788843
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-(2-cyclopropylcyclopropyl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1C1CC1C1CC1
InChIInChI=1S/C11H13NO/c13-11-8(2-1-5-12-11)10-6-9(10)7-3-4-7/h1-2,5,7,9-10H,3-4,6H2,(H,12,13)
InChIKeyHMGAKXVIIARPLI-UHFFFAOYSA-N
XLogP1.89
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylcyclopropyl)-1H-pyridin-2-one?
The IUPAC name of 3-(2-cyclopropylcyclopropyl)-1H-pyridin-2-one (CID 68788843) is 3-(2-cyclopropylcyclopropyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-cyclopropylcyclopropyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2-cyclopropylcyclopropyl)-1H-pyridin-2-one is O=c1[nH]cccc1C1CC1C1CC1.
What is the InChIKey of 3-(2-cyclopropylcyclopropyl)-1H-pyridin-2-one?
The InChIKey is HMGAKXVIIARPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-11-8(2-1-5-12-11)10-6-9(10)7-3-4-7/h1-2,5,7,9-10H,3-4,6H2,(H,12,13).
What are the key properties of 3-(2-cyclopropylcyclopropyl)-1H-pyridin-2-one?
3-(2-cyclopropylcyclopropyl)-1H-pyridin-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylcyclopropyl)-1H-pyridin-2-one is sourced from PubChem (CID 68788843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).