ethane;1-(2-methyl-4-oxopentan-3-yl)-1,3-diazinan-2-one

C12H24N2O2 — CID 142006413

IUPACethane;1-(2-methyl-4-oxopentan-3-yl)-1,3-diazinan-2-one
SMILESCC.CC(=O)C(C(C)C)N1CCCNC1=O
InChIInChI=1S/C10H18N2O2.C2H6/c1-7(2)9(8(3)13)12-6-4-5-11-10(12)14;1-2/h7,9H,4-6H2,1-3H3,(H,11,14);1-2H3
InChIKeyAHNDNPRTMCPYNB-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.04
Rot. Bonds3

About ethane;1-(2-methyl-4-oxopentan-3-yl)-1,3-diazinan-2-one

ethane;1-(2-methyl-4-oxopentan-3-yl)-1,3-diazinan-2-one (PubChem CID 142006413) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethane;1-(2-methyl-4-oxopentan-3-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Nameethane;1-(2-methyl-4-oxopentan-3-yl)-1,3-diazinan-2-one
PubChem CID142006413
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethane;1-(2-methyl-4-oxopentan-3-yl)-1,3-diazinan-2-one
SMILESCC.CC(=O)C(C(C)C)N1CCCNC1=O
InChIInChI=1S/C10H18N2O2.C2H6/c1-7(2)9(8(3)13)12-6-4-5-11-10(12)14;1-2/h7,9H,4-6H2,1-3H3,(H,11,14);1-2H3
InChIKeyAHNDNPRTMCPYNB-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methyl-4-oxopentan-3-yl)-1,3-diazinan-2-one?
The IUPAC name of ethane;1-(2-methyl-4-oxopentan-3-yl)-1,3-diazinan-2-one (CID 142006413) is ethane;1-(2-methyl-4-oxopentan-3-yl)-1,3-diazinan-2-one.
What is the SMILES notation for ethane;1-(2-methyl-4-oxopentan-3-yl)-1,3-diazinan-2-one?
The canonical SMILES for ethane;1-(2-methyl-4-oxopentan-3-yl)-1,3-diazinan-2-one is CC.CC(=O)C(C(C)C)N1CCCNC1=O.
What is the InChIKey of ethane;1-(2-methyl-4-oxopentan-3-yl)-1,3-diazinan-2-one?
The InChIKey is AHNDNPRTMCPYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2.C2H6/c1-7(2)9(8(3)13)12-6-4-5-11-10(12)14;1-2/h7,9H,4-6H2,1-3H3,(H,11,14);1-2H3.
What are the key properties of ethane;1-(2-methyl-4-oxopentan-3-yl)-1,3-diazinan-2-one?
ethane;1-(2-methyl-4-oxopentan-3-yl)-1,3-diazinan-2-one has a molecular weight of 228.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methyl-4-oxopentan-3-yl)-1,3-diazinan-2-one is sourced from PubChem (CID 142006413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).