1-[(1-hydroxycyclopentyl)methyl]-1,3-diazinan-2-one

C10H18N2O2 — CID 115371225

IUPAC1-[(1-hydroxycyclopentyl)methyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1CC1(O)CCCC1
InChIInChI=1S/C10H18N2O2/c13-9-11-6-3-7-12(9)8-10(14)4-1-2-5-10/h14H,1-8H2,(H,11,13)
InChIKeyGEMPDNIMKYLZTO-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.71
Rot. Bonds2

About 1-[(1-hydroxycyclopentyl)methyl]-1,3-diazinan-2-one

1-[(1-hydroxycyclopentyl)methyl]-1,3-diazinan-2-one (PubChem CID 115371225) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]-1,3-diazinan-2-one
PubChem CID115371225
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1CC1(O)CCCC1
InChIInChI=1S/C10H18N2O2/c13-9-11-6-3-7-12(9)8-10(14)4-1-2-5-10/h14H,1-8H2,(H,11,13)
InChIKeyGEMPDNIMKYLZTO-UHFFFAOYSA-N
XLogP0.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-1,3-diazinan-2-one (CID 115371225) is 1-[(1-hydroxycyclopentyl)methyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl]-1,3-diazinan-2-one is O=C1NCCCN1CC1(O)CCCC1.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]-1,3-diazinan-2-one?
The InChIKey is GEMPDNIMKYLZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-9-11-6-3-7-12(9)8-10(14)4-1-2-5-10/h14H,1-8H2,(H,11,13).
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]-1,3-diazinan-2-one?
1-[(1-hydroxycyclopentyl)methyl]-1,3-diazinan-2-one has a molecular weight of 198.27 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclopentyl)methyl]-1,3-diazinan-2-one is sourced from PubChem (CID 115371225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).