2-pyridin-2-yl-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C15H15N3OS — CID 3235752

IUPAC2-pyridin-2-yl-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2cccs2)N1c1ccccn1
InChIInChI=1S/C15H15N3OS/c19-15-11-5-3-9-17(11)14(12-6-4-10-20-12)18(15)13-7-1-2-8-16-13/h1-2,4,6-8,10-11,14H,3,5,9H2
InChIKeyKBAFYBYYCFHCON-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.65
Rot. Bonds2

About 2-pyridin-2-yl-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

2-pyridin-2-yl-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 3235752) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-pyridin-2-yl-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name2-pyridin-2-yl-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID3235752
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-pyridin-2-yl-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1C2CCCN2C(c2cccs2)N1c1ccccn1
InChIInChI=1S/C15H15N3OS/c19-15-11-5-3-9-17(11)14(12-6-4-10-20-12)18(15)13-7-1-2-8-16-13/h1-2,4,6-8,10-11,14H,3,5,9H2
InChIKeyKBAFYBYYCFHCON-UHFFFAOYSA-N
XLogP2.65
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 2-pyridin-2-yl-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 3235752) is 2-pyridin-2-yl-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for 2-pyridin-2-yl-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 2-pyridin-2-yl-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is O=C1C2CCCN2C(c2cccs2)N1c1ccccn1.
What is the InChIKey of 2-pyridin-2-yl-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is KBAFYBYYCFHCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c19-15-11-5-3-9-17(11)14(12-6-4-10-20-12)18(15)13-7-1-2-8-16-13/h1-2,4,6-8,10-11,14H,3,5,9H2.
What are the key properties of 2-pyridin-2-yl-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
2-pyridin-2-yl-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 285.37 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 3235752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).