1-[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(5-ethyl-1H-imidazol-2-yl)ethanone

C15H24N4O — CID 154770731

IUPAC1-[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(5-ethyl-1H-imidazol-2-yl)ethanone
SMILESCCc1cnc(CC(=O)N2C[C@@H]3CN(C)C[C@]3(C)C2)[nH]1
InChIInChI=1S/C15H24N4O/c1-4-12-6-16-13(17-12)5-14(20)19-8-11-7-18(3)9-15(11,2)10-19/h6,11H,4-5,7-10H2,1-3H3,(H,16,17)/t11-,15+/m0/s1
InChIKeyDUGYFHHPDIJJMJ-XHDPSFHLSA-N
MW276.38 g/mol
LogP0.92
Rot. Bonds3

About 1-[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(5-ethyl-1H-imidazol-2-yl)ethanone

1-[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(5-ethyl-1H-imidazol-2-yl)ethanone (PubChem CID 154770731) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(5-ethyl-1H-imidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(5-ethyl-1H-imidazol-2-yl)ethanone
PubChem CID154770731
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(5-ethyl-1H-imidazol-2-yl)ethanone
SMILESCCc1cnc(CC(=O)N2C[C@@H]3CN(C)C[C@]3(C)C2)[nH]1
InChIInChI=1S/C15H24N4O/c1-4-12-6-16-13(17-12)5-14(20)19-8-11-7-18(3)9-15(11,2)10-19/h6,11H,4-5,7-10H2,1-3H3,(H,16,17)/t11-,15+/m0/s1
InChIKeyDUGYFHHPDIJJMJ-XHDPSFHLSA-N
XLogP0.92
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(5-ethyl-1H-imidazol-2-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(5-ethyl-1H-imidazol-2-yl)ethanone?
The IUPAC name of 1-[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(5-ethyl-1H-imidazol-2-yl)ethanone (CID 154770731) is 1-[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(5-ethyl-1H-imidazol-2-yl)ethanone.
What is the SMILES notation for 1-[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(5-ethyl-1H-imidazol-2-yl)ethanone?
The canonical SMILES for 1-[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(5-ethyl-1H-imidazol-2-yl)ethanone is CCc1cnc(CC(=O)N2C[C@@H]3CN(C)C[C@]3(C)C2)[nH]1.
What is the InChIKey of 1-[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(5-ethyl-1H-imidazol-2-yl)ethanone?
The InChIKey is DUGYFHHPDIJJMJ-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-12-6-16-13(17-12)5-14(20)19-8-11-7-18(3)9-15(11,2)10-19/h6,11H,4-5,7-10H2,1-3H3,(H,16,17)/t11-,15+/m0/s1.
What are the key properties of 1-[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(5-ethyl-1H-imidazol-2-yl)ethanone?
1-[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(5-ethyl-1H-imidazol-2-yl)ethanone has a molecular weight of 276.38 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(5-ethyl-1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 154770731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).