8-hydroxy-1-methyl-1,4-diazecan-5-one

C9H18N2O2 — CID 123855637

IUPAC8-hydroxy-1-methyl-1,4-diazecan-5-one
SMILESCN1CCNC(=O)CCC(O)CC1
InChIInChI=1S/C9H18N2O2/c1-11-6-4-8(12)2-3-9(13)10-5-7-11/h8,12H,2-7H2,1H3,(H,10,13)
InChIKeyUPLRHLJOOMBFFR-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.42
Rot. Bonds

About 8-hydroxy-1-methyl-1,4-diazecan-5-one

8-hydroxy-1-methyl-1,4-diazecan-5-one (PubChem CID 123855637) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 8-hydroxy-1-methyl-1,4-diazecan-5-one.

Molecular Properties

Compound Name8-hydroxy-1-methyl-1,4-diazecan-5-one
PubChem CID123855637
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name8-hydroxy-1-methyl-1,4-diazecan-5-one
SMILESCN1CCNC(=O)CCC(O)CC1
InChIInChI=1S/C9H18N2O2/c1-11-6-4-8(12)2-3-9(13)10-5-7-11/h8,12H,2-7H2,1H3,(H,10,13)
InChIKeyUPLRHLJOOMBFFR-UHFFFAOYSA-N
XLogP-0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-1-methyl-1,4-diazecan-5-one?
The IUPAC name of 8-hydroxy-1-methyl-1,4-diazecan-5-one (CID 123855637) is 8-hydroxy-1-methyl-1,4-diazecan-5-one.
What is the SMILES notation for 8-hydroxy-1-methyl-1,4-diazecan-5-one?
The canonical SMILES for 8-hydroxy-1-methyl-1,4-diazecan-5-one is CN1CCNC(=O)CCC(O)CC1.
What is the InChIKey of 8-hydroxy-1-methyl-1,4-diazecan-5-one?
The InChIKey is UPLRHLJOOMBFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11-6-4-8(12)2-3-9(13)10-5-7-11/h8,12H,2-7H2,1H3,(H,10,13).
What are the key properties of 8-hydroxy-1-methyl-1,4-diazecan-5-one?
8-hydroxy-1-methyl-1,4-diazecan-5-one has a molecular weight of 186.25 g/mol, XLogP of -0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-1-methyl-1,4-diazecan-5-one is sourced from PubChem (CID 123855637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).