1-(5-hydroxy-3-propanoyl-1,3-diazinan-1-yl)propan-1-one

C10H18N2O3 — CID 10656260

IUPAC1-(5-hydroxy-3-propanoyl-1,3-diazinan-1-yl)propan-1-one
SMILESCCC(=O)N1CC(O)CN(C(=O)CC)C1
InChIInChI=1S/C10H18N2O3/c1-3-9(14)11-5-8(13)6-12(7-11)10(15)4-2/h8,13H,3-7H2,1-2H3
InChIKeyVWQRPSMRFIUXFN-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.20
Rot. Bonds2

About 1-(5-hydroxy-3-propanoyl-1,3-diazinan-1-yl)propan-1-one

1-(5-hydroxy-3-propanoyl-1,3-diazinan-1-yl)propan-1-one (PubChem CID 10656260) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(5-hydroxy-3-propanoyl-1,3-diazinan-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-hydroxy-3-propanoyl-1,3-diazinan-1-yl)propan-1-one
PubChem CID10656260
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(5-hydroxy-3-propanoyl-1,3-diazinan-1-yl)propan-1-one
SMILESCCC(=O)N1CC(O)CN(C(=O)CC)C1
InChIInChI=1S/C10H18N2O3/c1-3-9(14)11-5-8(13)6-12(7-11)10(15)4-2/h8,13H,3-7H2,1-2H3
InChIKeyVWQRPSMRFIUXFN-UHFFFAOYSA-N
XLogP-0.20
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-3-propanoyl-1,3-diazinan-1-yl)propan-1-one?
The IUPAC name of 1-(5-hydroxy-3-propanoyl-1,3-diazinan-1-yl)propan-1-one (CID 10656260) is 1-(5-hydroxy-3-propanoyl-1,3-diazinan-1-yl)propan-1-one.
What is the SMILES notation for 1-(5-hydroxy-3-propanoyl-1,3-diazinan-1-yl)propan-1-one?
The canonical SMILES for 1-(5-hydroxy-3-propanoyl-1,3-diazinan-1-yl)propan-1-one is CCC(=O)N1CC(O)CN(C(=O)CC)C1.
What is the InChIKey of 1-(5-hydroxy-3-propanoyl-1,3-diazinan-1-yl)propan-1-one?
The InChIKey is VWQRPSMRFIUXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-9(14)11-5-8(13)6-12(7-11)10(15)4-2/h8,13H,3-7H2,1-2H3.
What are the key properties of 1-(5-hydroxy-3-propanoyl-1,3-diazinan-1-yl)propan-1-one?
1-(5-hydroxy-3-propanoyl-1,3-diazinan-1-yl)propan-1-one has a molecular weight of 214.26 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-3-propanoyl-1,3-diazinan-1-yl)propan-1-one is sourced from PubChem (CID 10656260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).