(7aS)-spiro[5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3,1'-cyclopentane]-1-one

C10H16N2O — CID 166448251

IUPAC(7aS)-spiro[5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3,1'-cyclopentane]-1-one
SMILESO=C1NC2(CCCC2)N2CCC[C@@H]12
InChIInChI=1S/C10H16N2O/c13-9-8-4-3-7-12(8)10(11-9)5-1-2-6-10/h8H,1-7H2,(H,11,13)/t8-/m0/s1
InChIKeyLKSRTJMLYQLKBA-QMMMGPOBSA-N
MW180.25 g/mol
LogP0.85
Rot. Bonds

About (7aS)-spiro[5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3,1'-cyclopentane]-1-one

(7aS)-spiro[5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3,1'-cyclopentane]-1-one (PubChem CID 166448251) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (7aS)-spiro[5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3,1'-cyclopentane]-1-one.

Molecular Properties

Compound Name(7aS)-spiro[5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3,1'-cyclopentane]-1-one
PubChem CID166448251
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(7aS)-spiro[5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3,1'-cyclopentane]-1-one
SMILESO=C1NC2(CCCC2)N2CCC[C@@H]12
InChIInChI=1S/C10H16N2O/c13-9-8-4-3-7-12(8)10(11-9)5-1-2-6-10/h8H,1-7H2,(H,11,13)/t8-/m0/s1
InChIKeyLKSRTJMLYQLKBA-QMMMGPOBSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7aS)-spiro[5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3,1'-cyclopentane]-1-one?
The IUPAC name of (7aS)-spiro[5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3,1'-cyclopentane]-1-one (CID 166448251) is (7aS)-spiro[5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3,1'-cyclopentane]-1-one.
What is the SMILES notation for (7aS)-spiro[5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3,1'-cyclopentane]-1-one?
The canonical SMILES for (7aS)-spiro[5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3,1'-cyclopentane]-1-one is O=C1NC2(CCCC2)N2CCC[C@@H]12.
What is the InChIKey of (7aS)-spiro[5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3,1'-cyclopentane]-1-one?
The InChIKey is LKSRTJMLYQLKBA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O/c13-9-8-4-3-7-12(8)10(11-9)5-1-2-6-10/h8H,1-7H2,(H,11,13)/t8-/m0/s1.
What are the key properties of (7aS)-spiro[5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3,1'-cyclopentane]-1-one?
(7aS)-spiro[5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3,1'-cyclopentane]-1-one has a molecular weight of 180.25 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-spiro[5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3,1'-cyclopentane]-1-one is sourced from PubChem (CID 166448251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).