4-methylidene-5-pentylimidazolidin-2-one

C9H16N2O — CID 174379713

IUPAC4-methylidene-5-pentylimidazolidin-2-one
SMILESC=C1NC(=O)NC1CCCCC
InChIInChI=1S/C9H16N2O/c1-3-4-5-6-8-7(2)10-9(12)11-8/h8H,2-6H2,1H3,(H2,10,11,12)
InChIKeyYSLWLIMTHZYYMU-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.76
Rot. Bonds4

About 4-methylidene-5-pentylimidazolidin-2-one

4-methylidene-5-pentylimidazolidin-2-one (PubChem CID 174379713) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-methylidene-5-pentylimidazolidin-2-one.

Molecular Properties

Compound Name4-methylidene-5-pentylimidazolidin-2-one
PubChem CID174379713
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-methylidene-5-pentylimidazolidin-2-one
SMILESC=C1NC(=O)NC1CCCCC
InChIInChI=1S/C9H16N2O/c1-3-4-5-6-8-7(2)10-9(12)11-8/h8H,2-6H2,1H3,(H2,10,11,12)
InChIKeyYSLWLIMTHZYYMU-UHFFFAOYSA-N
XLogP1.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-butylimidazolidine-2,4-dione
CID 51416195
4-methylidene-5-(2-methylpropyl)imidazolidin-2-one
CID 89369003
3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione
CID 147838598
ethyl 6-methyl-4-octyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102498027
ethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 98131682
ethyl (4R)-4-heptyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 92905967
5-propylimidazolidine-2,4-dione
CID 567619
2-methylidene-3-propylaziridine
CID 149135851
4-heptyl-1,3-oxazolidine-2,5-dione
CID 102249134
ethyl 4-butyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 11128419
(3S,6R)-3-(2-methylpropyl)-6-pentylpiperazine-2,5-dione
CID 157372479
(5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione
CID 7000133

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-5-pentylimidazolidin-2-one?
The IUPAC name of 4-methylidene-5-pentylimidazolidin-2-one (CID 174379713) is 4-methylidene-5-pentylimidazolidin-2-one.
What is the SMILES notation for 4-methylidene-5-pentylimidazolidin-2-one?
The canonical SMILES for 4-methylidene-5-pentylimidazolidin-2-one is C=C1NC(=O)NC1CCCCC.
What is the InChIKey of 4-methylidene-5-pentylimidazolidin-2-one?
The InChIKey is YSLWLIMTHZYYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-4-5-6-8-7(2)10-9(12)11-8/h8H,2-6H2,1H3,(H2,10,11,12).
What are the key properties of 4-methylidene-5-pentylimidazolidin-2-one?
4-methylidene-5-pentylimidazolidin-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-5-pentylimidazolidin-2-one is sourced from PubChem (CID 174379713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).