1-hexan-2-ylimidazolidin-2-one

C9H18N2O — CID 115370621

IUPAC1-hexan-2-ylimidazolidin-2-one
SMILESCCCCC(C)N1CCNC1=O
InChIInChI=1S/C9H18N2O/c1-3-4-5-8(2)11-7-6-10-9(11)12/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeySPEVJEDXDHBQDO-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.59
Rot. Bonds4

About 1-hexan-2-ylimidazolidin-2-one

1-hexan-2-ylimidazolidin-2-one (PubChem CID 115370621) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-hexan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-hexan-2-ylimidazolidin-2-one
PubChem CID115370621
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-hexan-2-ylimidazolidin-2-one
SMILESCCCCC(C)N1CCNC1=O
InChIInChI=1S/C9H18N2O/c1-3-4-5-8(2)11-7-6-10-9(11)12/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeySPEVJEDXDHBQDO-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-aminopropan-2-yl)imidazolidin-2-one
CID 63730519
1-hexan-2-ylpyrrolidine-2,3-dione
CID 62200791
1-(1-cyclopropylpropan-2-yl)imidazolidin-2-one
CID 115370687
1-(5-methylhexan-2-yl)-1,3-diazinan-2-one
CID 115370924
1-(3-methylheptyl)imidazolidin-2-one
CID 130253756
1-(1-piperazin-1-ylpropan-2-yl)imidazolidin-2-one
CID 82508519
1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione
CID 64969014
1-hexan-2-ylpiperidine-2,4-dione
CID 79517147
1-(2-ethylhexyl)imidazolidin-2-one
CID 107819225
1-octan-2-ylpiperazine-2,5-dione
CID 64955606
1-hexan-2-yl-4-sulfanylpyrrolidin-2-one
CID 168707704
1-hexan-2-yl-3-methylpiperazine-2,5-dione
CID 64969050

Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-ylimidazolidin-2-one?
The IUPAC name of 1-hexan-2-ylimidazolidin-2-one (CID 115370621) is 1-hexan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-hexan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-hexan-2-ylimidazolidin-2-one is CCCCC(C)N1CCNC1=O.
What is the InChIKey of 1-hexan-2-ylimidazolidin-2-one?
The InChIKey is SPEVJEDXDHBQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-4-5-8(2)11-7-6-10-9(11)12/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of 1-hexan-2-ylimidazolidin-2-one?
1-hexan-2-ylimidazolidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-ylimidazolidin-2-one is sourced from PubChem (CID 115370621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).