2-(3-hydroxypropyl)diazinan-3-one

C7H14N2O2 — CID 105430980

IUPAC2-(3-hydroxypropyl)diazinan-3-one
SMILESO=C1CCCNN1CCCO
InChIInChI=1S/C7H14N2O2/c10-6-2-5-9-7(11)3-1-4-8-9/h8,10H,1-6H2
InChIKeyAQTHCBSQIMPKOF-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.50
Rot. Bonds3

About 2-(3-hydroxypropyl)diazinan-3-one

2-(3-hydroxypropyl)diazinan-3-one (PubChem CID 105430980) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)diazinan-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)diazinan-3-one
PubChem CID105430980
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-(3-hydroxypropyl)diazinan-3-one
SMILESO=C1CCCNN1CCCO
InChIInChI=1S/C7H14N2O2/c10-6-2-5-9-7(11)3-1-4-8-9/h8,10H,1-6H2
InChIKeyAQTHCBSQIMPKOF-UHFFFAOYSA-N
XLogP-0.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)diazinan-3-one?
The IUPAC name of 2-(3-hydroxypropyl)diazinan-3-one (CID 105430980) is 2-(3-hydroxypropyl)diazinan-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)diazinan-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)diazinan-3-one is O=C1CCCNN1CCCO.
What is the InChIKey of 2-(3-hydroxypropyl)diazinan-3-one?
The InChIKey is AQTHCBSQIMPKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c10-6-2-5-9-7(11)3-1-4-8-9/h8,10H,1-6H2.
What are the key properties of 2-(3-hydroxypropyl)diazinan-3-one?
2-(3-hydroxypropyl)diazinan-3-one has a molecular weight of 158.20 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)diazinan-3-one is sourced from PubChem (CID 105430980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).