7a-methyl-2-(1-phenylethyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one

C15H20N2O — CID 44599881

IUPAC7a-methyl-2-(1-phenylethyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one
SMILESCC(c1ccccc1)N1CC2(C)CCCN2C1=O
InChIInChI=1S/C15H20N2O/c1-12(13-7-4-3-5-8-13)16-11-15(2)9-6-10-17(15)14(16)18/h3-5,7-8,12H,6,9-11H2,1-2H3
InChIKeyQHMUBEAUTLEVQG-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.04
Rot. Bonds2

About 7a-methyl-2-(1-phenylethyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one

7a-methyl-2-(1-phenylethyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one (PubChem CID 44599881) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 7a-methyl-2-(1-phenylethyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one.

Molecular Properties

Compound Name7a-methyl-2-(1-phenylethyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one
PubChem CID44599881
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name7a-methyl-2-(1-phenylethyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one
SMILESCC(c1ccccc1)N1CC2(C)CCCN2C1=O
InChIInChI=1S/C15H20N2O/c1-12(13-7-4-3-5-8-13)16-11-15(2)9-6-10-17(15)14(16)18/h3-5,7-8,12H,6,9-11H2,1-2H3
InChIKeyQHMUBEAUTLEVQG-UHFFFAOYSA-N
XLogP3.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-2-(1-phenylethyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one?
The IUPAC name of 7a-methyl-2-(1-phenylethyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one (CID 44599881) is 7a-methyl-2-(1-phenylethyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one.
What is the SMILES notation for 7a-methyl-2-(1-phenylethyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one?
The canonical SMILES for 7a-methyl-2-(1-phenylethyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one is CC(c1ccccc1)N1CC2(C)CCCN2C1=O.
What is the InChIKey of 7a-methyl-2-(1-phenylethyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one?
The InChIKey is QHMUBEAUTLEVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(13-7-4-3-5-8-13)16-11-15(2)9-6-10-17(15)14(16)18/h3-5,7-8,12H,6,9-11H2,1-2H3.
What are the key properties of 7a-methyl-2-(1-phenylethyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one?
7a-methyl-2-(1-phenylethyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one has a molecular weight of 244.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-2-(1-phenylethyl)-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one is sourced from PubChem (CID 44599881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).