1-(2-oxopropyl)-2-phenyldiazinan-3-one

C13H16N2O2 — CID 105491114

IUPAC1-(2-oxopropyl)-2-phenyldiazinan-3-one
SMILESCC(=O)CN1CCCC(=O)N1c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-11(16)10-14-9-5-8-13(17)15(14)12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3
InChIKeyUPMNXOJTWFCQFQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.62
Rot. Bonds3

About 1-(2-oxopropyl)-2-phenyldiazinan-3-one

1-(2-oxopropyl)-2-phenyldiazinan-3-one (PubChem CID 105491114) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(2-oxopropyl)-2-phenyldiazinan-3-one.

Molecular Properties

Compound Name1-(2-oxopropyl)-2-phenyldiazinan-3-one
PubChem CID105491114
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(2-oxopropyl)-2-phenyldiazinan-3-one
SMILESCC(=O)CN1CCCC(=O)N1c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-11(16)10-14-9-5-8-13(17)15(14)12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3
InChIKeyUPMNXOJTWFCQFQ-UHFFFAOYSA-N
XLogP1.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methylbenzene-1,3-dicarboxylic acid;1-phenylpyrrolidin-2-one
CID 174500100
2-(2-hydroxyethyl)-1-phenyldiazinan-3-one
CID 105475836
2-[2-(2-methylphenyl)-3-oxodiazinan-1-yl]acetaldehyde
CID 105491111
N-(1-hydroxy-2-phenylpropan-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 105059045
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
1-(2-phenylacetyl)pyrrolidin-2-one
CID 13011419
(1Z)-1-[1-(2-oxopropyl)pyrrolidin-2-ylidene]-3-phenylthiourea
CID 21203743
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 47111292
N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 94476724
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
dimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium
CID 8938357
N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46414391

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopropyl)-2-phenyldiazinan-3-one?
The IUPAC name of 1-(2-oxopropyl)-2-phenyldiazinan-3-one (CID 105491114) is 1-(2-oxopropyl)-2-phenyldiazinan-3-one.
What is the SMILES notation for 1-(2-oxopropyl)-2-phenyldiazinan-3-one?
The canonical SMILES for 1-(2-oxopropyl)-2-phenyldiazinan-3-one is CC(=O)CN1CCCC(=O)N1c1ccccc1.
What is the InChIKey of 1-(2-oxopropyl)-2-phenyldiazinan-3-one?
The InChIKey is UPMNXOJTWFCQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-11(16)10-14-9-5-8-13(17)15(14)12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3.
What are the key properties of 1-(2-oxopropyl)-2-phenyldiazinan-3-one?
1-(2-oxopropyl)-2-phenyldiazinan-3-one has a molecular weight of 232.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopropyl)-2-phenyldiazinan-3-one is sourced from PubChem (CID 105491114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).