4-ethyl-5-[(2S)-7-oxononan-2-yl]imidazolidin-2-one

C14H26N2O2 — CID 144683231

IUPAC4-ethyl-5-[(2S)-7-oxononan-2-yl]imidazolidin-2-one
SMILESCCC(=O)CCCC[C@H](C)C1NC(=O)NC1CC
InChIInChI=1S/C14H26N2O2/c1-4-11(17)9-7-6-8-10(3)13-12(5-2)15-14(18)16-13/h10,12-13H,4-9H2,1-3H3,(H2,15,16,18)/t10-,12?,13?/m0/s1
InChIKeyBKZNUCRGNUOKCV-PKSQDBQZSA-N
MW254.37 g/mol
LogP2.62
Rot. Bonds8

About 4-ethyl-5-[(2S)-7-oxononan-2-yl]imidazolidin-2-one

4-ethyl-5-[(2S)-7-oxononan-2-yl]imidazolidin-2-one (PubChem CID 144683231) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-ethyl-5-[(2S)-7-oxononan-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-ethyl-5-[(2S)-7-oxononan-2-yl]imidazolidin-2-one
PubChem CID144683231
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-ethyl-5-[(2S)-7-oxononan-2-yl]imidazolidin-2-one
SMILESCCC(=O)CCCC[C@H](C)C1NC(=O)NC1CC
InChIInChI=1S/C14H26N2O2/c1-4-11(17)9-7-6-8-10(3)13-12(5-2)15-14(18)16-13/h10,12-13H,4-9H2,1-3H3,(H2,15,16,18)/t10-,12?,13?/m0/s1
InChIKeyBKZNUCRGNUOKCV-PKSQDBQZSA-N
XLogP2.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one
CID 167640123
(7R,8S)-8-hydroxy-7-methylnonan-3-one
CID 122413902
methane;undecane-3,9-dione
CID 158816586
ethane;7-methyloctan-3-one
CID 142816942
9-sulfanylundecan-3-one
CID 91415833
8-ethyl-12,16-dimethylheptadecan-3-one
CID 163268451
heptadecane-3,7,11,15-tetrone
CID 160942813
(3S)-3-aminoundecane-2,9-dione
CID 148839673
1-hydroxydodecane-2,10-dione
CID 158814981
2-methyl-7-oxononanimidamide
CID 123883607
methyl 2-amino-10-oxododecanoate
CID 170309196
tetracosane-3,13-dione
CID 143607999

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[(2S)-7-oxononan-2-yl]imidazolidin-2-one?
The IUPAC name of 4-ethyl-5-[(2S)-7-oxononan-2-yl]imidazolidin-2-one (CID 144683231) is 4-ethyl-5-[(2S)-7-oxononan-2-yl]imidazolidin-2-one.
What is the SMILES notation for 4-ethyl-5-[(2S)-7-oxononan-2-yl]imidazolidin-2-one?
The canonical SMILES for 4-ethyl-5-[(2S)-7-oxononan-2-yl]imidazolidin-2-one is CCC(=O)CCCC[C@H](C)C1NC(=O)NC1CC.
What is the InChIKey of 4-ethyl-5-[(2S)-7-oxononan-2-yl]imidazolidin-2-one?
The InChIKey is BKZNUCRGNUOKCV-PKSQDBQZSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-11(17)9-7-6-8-10(3)13-12(5-2)15-14(18)16-13/h10,12-13H,4-9H2,1-3H3,(H2,15,16,18)/t10-,12?,13?/m0/s1.
What are the key properties of 4-ethyl-5-[(2S)-7-oxononan-2-yl]imidazolidin-2-one?
4-ethyl-5-[(2S)-7-oxononan-2-yl]imidazolidin-2-one has a molecular weight of 254.37 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[(2S)-7-oxononan-2-yl]imidazolidin-2-one is sourced from PubChem (CID 144683231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).