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

C10H18N2O2 — CID 105451683

IUPAC1-cyclopropyl-2-(2-hydroxypropyl)diazinan-3-one
SMILESCC(O)CN1C(=O)CCCN1C1CC1
InChIInChI=1S/C10H18N2O2/c1-8(13)7-12-10(14)3-2-6-11(12)9-4-5-9/h8-9,13H,2-7H2,1H3
InChIKeyPOPMXCMSWTXLHZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.37
Rot. Bonds3

About 1-cyclopropyl-2-(2-hydroxypropyl)diazinan-3-one

1-cyclopropyl-2-(2-hydroxypropyl)diazinan-3-one (PubChem CID 105451683) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-hydroxypropyl)diazinan-3-one.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-hydroxypropyl)diazinan-3-one
PubChem CID105451683
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-cyclopropyl-2-(2-hydroxypropyl)diazinan-3-one
SMILESCC(O)CN1C(=O)CCCN1C1CC1
InChIInChI=1S/C10H18N2O2/c1-8(13)7-12-10(14)3-2-6-11(12)9-4-5-9/h8-9,13H,2-7H2,1H3
InChIKeyPOPMXCMSWTXLHZ-UHFFFAOYSA-N
XLogP0.37
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-hydroxypropyl)diazinan-3-one?
The IUPAC name of 1-cyclopropyl-2-(2-hydroxypropyl)diazinan-3-one (CID 105451683) is 1-cyclopropyl-2-(2-hydroxypropyl)diazinan-3-one.
What is the SMILES notation for 1-cyclopropyl-2-(2-hydroxypropyl)diazinan-3-one?
The canonical SMILES for 1-cyclopropyl-2-(2-hydroxypropyl)diazinan-3-one is CC(O)CN1C(=O)CCCN1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2-hydroxypropyl)diazinan-3-one?
The InChIKey is POPMXCMSWTXLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(13)7-12-10(14)3-2-6-11(12)9-4-5-9/h8-9,13H,2-7H2,1H3.
What are the key properties of 1-cyclopropyl-2-(2-hydroxypropyl)diazinan-3-one?
1-cyclopropyl-2-(2-hydroxypropyl)diazinan-3-one has a molecular weight of 198.27 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-hydroxypropyl)diazinan-3-one is sourced from PubChem (CID 105451683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).