(7S,7aS)-7a-(3-methoxyphenyl)-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione

C15H18N2O3 — CID 122385368

IUPAC(7S,7aS)-7a-(3-methoxyphenyl)-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
SMILESCOc1cccc([C@@]23C(=O)N(C)C(=O)N2CC[C@@H]3C)c1
InChIInChI=1S/C15H18N2O3/c1-10-7-8-17-14(19)16(2)13(18)15(10,17)11-5-4-6-12(9-11)20-3/h4-6,9-10H,7-8H2,1-3H3/t10-,15-/m0/s1
InChIKeyQMUQIHJOLJWAJW-BONVTDFDSA-N
MW274.32 g/mol
LogP1.82
Rot. Bonds2

About (7S,7aS)-7a-(3-methoxyphenyl)-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione

(7S,7aS)-7a-(3-methoxyphenyl)-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 122385368) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (7S,7aS)-7a-(3-methoxyphenyl)-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name(7S,7aS)-7a-(3-methoxyphenyl)-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID122385368
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(7S,7aS)-7a-(3-methoxyphenyl)-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
SMILESCOc1cccc([C@@]23C(=O)N(C)C(=O)N2CC[C@@H]3C)c1
InChIInChI=1S/C15H18N2O3/c1-10-7-8-17-14(19)16(2)13(18)15(10,17)11-5-4-6-12(9-11)20-3/h4-6,9-10H,7-8H2,1-3H3/t10-,15-/m0/s1
InChIKeyQMUQIHJOLJWAJW-BONVTDFDSA-N
XLogP1.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (7S,7aS)-7a-(3-methoxyphenyl)-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of (7S,7aS)-7a-(3-methoxyphenyl)-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione (CID 122385368) is (7S,7aS)-7a-(3-methoxyphenyl)-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for (7S,7aS)-7a-(3-methoxyphenyl)-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for (7S,7aS)-7a-(3-methoxyphenyl)-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione is COc1cccc([C@@]23C(=O)N(C)C(=O)N2CC[C@@H]3C)c1.
What is the InChIKey of (7S,7aS)-7a-(3-methoxyphenyl)-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is QMUQIHJOLJWAJW-BONVTDFDSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-7-8-17-14(19)16(2)13(18)15(10,17)11-5-4-6-12(9-11)20-3/h4-6,9-10H,7-8H2,1-3H3/t10-,15-/m0/s1.
What are the key properties of (7S,7aS)-7a-(3-methoxyphenyl)-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
(7S,7aS)-7a-(3-methoxyphenyl)-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 274.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,7aS)-7a-(3-methoxyphenyl)-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 122385368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).