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

C7H14N2O2 — CID 45088567

IUPAC1-(3-hydroxypropyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1CCCO
InChIInChI=1S/C7H14N2O2/c10-6-2-5-9-4-1-3-8-7(9)11/h10H,1-6H2,(H,8,11)
InChIKeyLDJDTTSBOOJIIL-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.22
Rot. Bonds3

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

1-(3-hydroxypropyl)-1,3-diazinan-2-one (PubChem CID 45088567) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-1,3-diazinan-2-one
PubChem CID45088567
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-(3-hydroxypropyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1CCCO
InChIInChI=1S/C7H14N2O2/c10-6-2-5-9-4-1-3-8-7(9)11/h10H,1-6H2,(H,8,11)
InChIKeyLDJDTTSBOOJIIL-UHFFFAOYSA-N
XLogP-0.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(3-hydroxypropyl)-1,3-diazinan-2-one (CID 45088567) is 1-(3-hydroxypropyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(3-hydroxypropyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(3-hydroxypropyl)-1,3-diazinan-2-one is O=C1NCCCN1CCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-1,3-diazinan-2-one?
The InChIKey is LDJDTTSBOOJIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c10-6-2-5-9-4-1-3-8-7(9)11/h10H,1-6H2,(H,8,11).
What are the key properties of 1-(3-hydroxypropyl)-1,3-diazinan-2-one?
1-(3-hydroxypropyl)-1,3-diazinan-2-one has a molecular weight of 158.20 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-1,3-diazinan-2-one is sourced from PubChem (CID 45088567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).