1-heptyl-3-methylimidazolidine-2,4-dione

C11H20N2O2 — CID 67719107

IUPAC1-heptyl-3-methylimidazolidine-2,4-dione
SMILESCCCCCCCN1CC(=O)N(C)C1=O
InChIInChI=1S/C11H20N2O2/c1-3-4-5-6-7-8-13-9-10(14)12(2)11(13)15/h3-9H2,1-2H3
InChIKeyBVPZXRGWZNZEEL-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.85
Rot. Bonds6

About 1-heptyl-3-methylimidazolidine-2,4-dione

1-heptyl-3-methylimidazolidine-2,4-dione (PubChem CID 67719107) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-heptyl-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-heptyl-3-methylimidazolidine-2,4-dione
PubChem CID67719107
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-heptyl-3-methylimidazolidine-2,4-dione
SMILESCCCCCCCN1CC(=O)N(C)C1=O
InChIInChI=1S/C11H20N2O2/c1-3-4-5-6-7-8-13-9-10(14)12(2)11(13)15/h3-9H2,1-2H3
InChIKeyBVPZXRGWZNZEEL-UHFFFAOYSA-N
XLogP1.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-methylimidazolidine-2,4-dione;ethane
CID 176672470
1,3-dioctylimidazolidin-2-one
CID 19987667
1,4-dibutylpiperazine-2,5-dione
CID 19902955
1,3-dimethylimidazolidine-2,4-dione;ethane;1-ethyl-3-methylimidazolidine-2,4-dione
CID 142135438
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1,3-dipentylimidazolidin-4-one
CID 70598443
1-hexyl-4-methyl-2,3-dihydropyridin-6-one
CID 25137379
1-propyl-4-(9-sulfanylnonyl)piperazine-2,5-dione
CID 105344649
1-(9-bromononyl)-4-propylpiperazine-2,5-dione
CID 105343167
1,3-diheptyl-1,3-diazetidine-2,4-dione
CID 18730690
4-chloro-1-hexylpyrrolidin-2-one
CID 168687403

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-3-methylimidazolidine-2,4-dione?
The IUPAC name of 1-heptyl-3-methylimidazolidine-2,4-dione (CID 67719107) is 1-heptyl-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-heptyl-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-heptyl-3-methylimidazolidine-2,4-dione is CCCCCCCN1CC(=O)N(C)C1=O.
What is the InChIKey of 1-heptyl-3-methylimidazolidine-2,4-dione?
The InChIKey is BVPZXRGWZNZEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-4-5-6-7-8-13-9-10(14)12(2)11(13)15/h3-9H2,1-2H3.
What are the key properties of 1-heptyl-3-methylimidazolidine-2,4-dione?
1-heptyl-3-methylimidazolidine-2,4-dione has a molecular weight of 212.29 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 67719107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).