1-(furan-2-ylmethyl)-5-hydroxy-1,3-diazinan-2-one

C9H12N2O3 — CID 83698973

IUPAC1-(furan-2-ylmethyl)-5-hydroxy-1,3-diazinan-2-one
SMILESO=C1NCC(O)CN1Cc1ccco1
InChIInChI=1S/C9H12N2O3/c12-7-4-10-9(13)11(5-7)6-8-2-1-3-14-8/h1-3,7,12H,4-6H2,(H,10,13)
InChIKeyNXGTXSZADYICCH-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.17
Rot. Bonds2

About 1-(furan-2-ylmethyl)-5-hydroxy-1,3-diazinan-2-one

1-(furan-2-ylmethyl)-5-hydroxy-1,3-diazinan-2-one (PubChem CID 83698973) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-hydroxy-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-hydroxy-1,3-diazinan-2-one
PubChem CID83698973
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-(furan-2-ylmethyl)-5-hydroxy-1,3-diazinan-2-one
SMILESO=C1NCC(O)CN1Cc1ccco1
InChIInChI=1S/C9H12N2O3/c12-7-4-10-9(13)11(5-7)6-8-2-1-3-14-8/h1-3,7,12H,4-6H2,(H,10,13)
InChIKeyNXGTXSZADYICCH-UHFFFAOYSA-N
XLogP0.17
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 106671878
(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420188
4-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-6-hydroxy-1,4-diazepan-2-one
CID 118738549
5-(bromomethyl)-3-(furan-2-ylmethyl)-1,3-oxazolidin-2-one
CID 82380170
[1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682162
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
tert-butyl 4-(furan-2-ylmethyl)-6-hydroxy-3-oxo-1,4-diazepane-1-carboxylate
CID 118738606
phenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 8765226
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
7-(furan-2-ylmethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
CID 117002090

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-hydroxy-1,3-diazinan-2-one?
The IUPAC name of 1-(furan-2-ylmethyl)-5-hydroxy-1,3-diazinan-2-one (CID 83698973) is 1-(furan-2-ylmethyl)-5-hydroxy-1,3-diazinan-2-one.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-hydroxy-1,3-diazinan-2-one?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-hydroxy-1,3-diazinan-2-one is O=C1NCC(O)CN1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-hydroxy-1,3-diazinan-2-one?
The InChIKey is NXGTXSZADYICCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-7-4-10-9(13)11(5-7)6-8-2-1-3-14-8/h1-3,7,12H,4-6H2,(H,10,13).
What are the key properties of 1-(furan-2-ylmethyl)-5-hydroxy-1,3-diazinan-2-one?
1-(furan-2-ylmethyl)-5-hydroxy-1,3-diazinan-2-one has a molecular weight of 196.21 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-hydroxy-1,3-diazinan-2-one is sourced from PubChem (CID 83698973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).