2-pentylimino-1,3-oxazolidin-4-one

C8H14N2O2 — CID 136954888

IUPAC2-pentylimino-1,3-oxazolidin-4-one
SMILESCCCCC/N=C1/NC(=O)CO1
InChIInChI=1S/C8H14N2O2/c1-2-3-4-5-9-8-10-7(11)6-12-8/h2-6H2,1H3,(H,9,10,11)
InChIKeyABQZSRRPBHMDIY-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.68
Rot. Bonds4

About 2-pentylimino-1,3-oxazolidin-4-one

2-pentylimino-1,3-oxazolidin-4-one (PubChem CID 136954888) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-pentylimino-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name2-pentylimino-1,3-oxazolidin-4-one
PubChem CID136954888
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-pentylimino-1,3-oxazolidin-4-one
SMILESCCCCC/N=C1/NC(=O)CO1
InChIInChI=1S/C8H14N2O2/c1-2-3-4-5-9-8-10-7(11)6-12-8/h2-6H2,1H3,(H,9,10,11)
InChIKeyABQZSRRPBHMDIY-UHFFFAOYSA-N
XLogP0.68
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 139232075
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6-(1-chlorooctyl)-4H-1,4-benzoxazin-3-one
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4-N,6-N-dibutyl-1,2,3,5-tetrazinane-4,6-diimine
CID 163513706
1,3-dioxolan-2-one;heptane
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(5S)-6-pentylimino-4-thia-1-azabicyclo[3.2.0]heptan-7-one
CID 70599107
N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763786
N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 22548269
4-butyl-4-methylazetidin-2-one
CID 100957433
pentan-1-amine;pyrrolidine-2,5-dione
CID 122669383
6-(octan-2-ylamino)-4H-1,4-benzoxazin-3-one
CID 43129967
6-[1-(methylamino)heptyl]-4H-1,4-benzoxazin-3-one
CID 114752368

Frequently Asked Questions

What is the IUPAC name of 2-pentylimino-1,3-oxazolidin-4-one?
The IUPAC name of 2-pentylimino-1,3-oxazolidin-4-one (CID 136954888) is 2-pentylimino-1,3-oxazolidin-4-one.
What is the SMILES notation for 2-pentylimino-1,3-oxazolidin-4-one?
The canonical SMILES for 2-pentylimino-1,3-oxazolidin-4-one is CCCCC/N=C1/NC(=O)CO1.
What is the InChIKey of 2-pentylimino-1,3-oxazolidin-4-one?
The InChIKey is ABQZSRRPBHMDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-3-4-5-9-8-10-7(11)6-12-8/h2-6H2,1H3,(H,9,10,11).
What are the key properties of 2-pentylimino-1,3-oxazolidin-4-one?
2-pentylimino-1,3-oxazolidin-4-one has a molecular weight of 170.21 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylimino-1,3-oxazolidin-4-one is sourced from PubChem (CID 136954888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).