1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one

C10H14N2O — CID 142186535

IUPAC1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one
SMILESCC[C@@H](C1CC1)n1ccncc1=O
InChIInChI=1S/C10H14N2O/c1-2-9(8-3-4-8)12-6-5-11-7-10(12)13/h5-9H,2-4H2,1H3/t9-/m0/s1
InChIKeyUXZGCZZTWUMULC-VIFPVBQESA-N
MW178.24 g/mol
LogP1.60
Rot. Bonds3

About 1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one

1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one (PubChem CID 142186535) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one.

Molecular Properties

Compound Name1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one
PubChem CID142186535
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one
SMILESCC[C@@H](C1CC1)n1ccncc1=O
InChIInChI=1S/C10H14N2O/c1-2-9(8-3-4-8)12-6-5-11-7-10(12)13/h5-9H,2-4H2,1H3/t9-/m0/s1
InChIKeyUXZGCZZTWUMULC-VIFPVBQESA-N
XLogP1.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one?
The IUPAC name of 1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one (CID 142186535) is 1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one.
What is the SMILES notation for 1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one?
The canonical SMILES for 1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one is CC[C@@H](C1CC1)n1ccncc1=O.
What is the InChIKey of 1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one?
The InChIKey is UXZGCZZTWUMULC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-9(8-3-4-8)12-6-5-11-7-10(12)13/h5-9H,2-4H2,1H3/t9-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one?
1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one has a molecular weight of 178.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopropylpropyl]pyrazin-2-one is sourced from PubChem (CID 142186535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).