5-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]imidazolidine-2,4-dione

C13H15N3O2 — CID 59462381

IUPAC5-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]imidazolidine-2,4-dione
SMILESCc1c(C2NC(=O)NC2=O)ccc2c1CC[C@@H]2N
InChIInChI=1S/C13H15N3O2/c1-6-7-4-5-10(14)9(7)3-2-8(6)11-12(17)16-13(18)15-11/h2-3,10-11H,4-5,14H2,1H3,(H2,15,16,17,18)/t10-,11?/m0/s1
InChIKeyXMUJUZYKVSFNLQ-VUWPPUDQSA-N
MW245.28 g/mol
LogP0.82
Rot. Bonds1

About 5-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]imidazolidine-2,4-dione

5-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]imidazolidine-2,4-dione (PubChem CID 59462381) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]imidazolidine-2,4-dione
PubChem CID59462381
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]imidazolidine-2,4-dione
SMILESCc1c(C2NC(=O)NC2=O)ccc2c1CC[C@@H]2N
InChIInChI=1S/C13H15N3O2/c1-6-7-4-5-10(14)9(7)3-2-8(6)11-12(17)16-13(18)15-11/h2-3,10-11H,4-5,14H2,1H3,(H2,15,16,17,18)/t10-,11?/m0/s1
InChIKeyXMUJUZYKVSFNLQ-VUWPPUDQSA-N
XLogP0.82
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]imidazolidine-2,4-dione (CID 59462381) is 5-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]imidazolidine-2,4-dione is Cc1c(C2NC(=O)NC2=O)ccc2c1CC[C@@H]2N.
What is the InChIKey of 5-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]imidazolidine-2,4-dione?
The InChIKey is XMUJUZYKVSFNLQ-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-6-7-4-5-10(14)9(7)3-2-8(6)11-12(17)16-13(18)15-11/h2-3,10-11H,4-5,14H2,1H3,(H2,15,16,17,18)/t10-,11?/m0/s1.
What are the key properties of 5-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]imidazolidine-2,4-dione?
5-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]imidazolidine-2,4-dione has a molecular weight of 245.28 g/mol, XLogP of 0.82, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 59462381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).