(5S)-5-cyclopropyl-3-naphthalen-1-ylimidazolidine-2,4-dione

C16H14N2O2 — CID 94553450

IUPAC(5S)-5-cyclopropyl-3-naphthalen-1-ylimidazolidine-2,4-dione
SMILESO=C1N[C@@H](C2CC2)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C16H14N2O2/c19-15-14(11-8-9-11)17-16(20)18(15)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14H,8-9H2,(H,17,20)/t14-/m0/s1
InChIKeyAWJVAFQXLZSBDB-AWEZNQCLSA-N
MW266.30 g/mol
LogP2.67
Rot. Bonds2

About (5S)-5-cyclopropyl-3-naphthalen-1-ylimidazolidine-2,4-dione

(5S)-5-cyclopropyl-3-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 94553450) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (5S)-5-cyclopropyl-3-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-cyclopropyl-3-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID94553450
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(5S)-5-cyclopropyl-3-naphthalen-1-ylimidazolidine-2,4-dione
SMILESO=C1N[C@@H](C2CC2)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C16H14N2O2/c19-15-14(11-8-9-11)17-16(20)18(15)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14H,8-9H2,(H,17,20)/t14-/m0/s1
InChIKeyAWJVAFQXLZSBDB-AWEZNQCLSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-cyclopropyl-3-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-cyclopropyl-3-naphthalen-1-ylimidazolidine-2,4-dione (CID 94553450) is (5S)-5-cyclopropyl-3-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-cyclopropyl-3-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-cyclopropyl-3-naphthalen-1-ylimidazolidine-2,4-dione is O=C1N[C@@H](C2CC2)C(=O)N1c1cccc2ccccc12.
What is the InChIKey of (5S)-5-cyclopropyl-3-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is AWJVAFQXLZSBDB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-15-14(11-8-9-11)17-16(20)18(15)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14H,8-9H2,(H,17,20)/t14-/m0/s1.
What are the key properties of (5S)-5-cyclopropyl-3-naphthalen-1-ylimidazolidine-2,4-dione?
(5S)-5-cyclopropyl-3-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-cyclopropyl-3-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 94553450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).