3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione

C18H17N3O3 — CID 121159953

IUPAC3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(c1ccc2ccccc2c1)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C18H17N3O3/c22-16-10-19-18(24)21(16)15-7-8-20(11-15)17(23)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,15H,7-8,10-11H2,(H,19,24)
InChIKeyGTBMRDFCLWAONO-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.61
Rot. Bonds2

About 3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione

3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159953) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159953
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(c1ccc2ccccc2c1)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C18H17N3O3/c22-16-10-19-18(24)21(16)15-7-8-20(11-15)17(23)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,15H,7-8,10-11H2,(H,19,24)
InChIKeyGTBMRDFCLWAONO-UHFFFAOYSA-N
XLogP1.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159925
3-[1-(2-oxochromene-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159764
3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159746
3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159693
3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159752
3-[1-(4-oxochromene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159763
3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160175
3-[1-(naphthalene-1-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160397
3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160201
3-[1-(3-phenylprop-2-enoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 171139182
3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017220
3-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159881

Frequently Asked Questions

What is the IUPAC name of 3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione (CID 121159953) is 3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione is O=C(c1ccc2ccccc2c1)N1CCC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is GTBMRDFCLWAONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-16-10-19-18(24)21(16)15-7-8-20(11-15)17(23)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,15H,7-8,10-11H2,(H,19,24).
What are the key properties of 3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 323.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).