3-propan-2-yl-5,6-dihydrocyclopenta[d]imidazol-4-one

C9H12N2O — CID 83873223

IUPAC3-propan-2-yl-5,6-dihydrocyclopenta[d]imidazol-4-one
SMILESCC(C)n1cnc2c1C(=O)CC2
InChIInChI=1S/C9H12N2O/c1-6(2)11-5-10-7-3-4-8(12)9(7)11/h5-6H,3-4H2,1-2H3
InChIKeyKKGDEZURQIBWQF-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.59
Rot. Bonds1

About 3-propan-2-yl-5,6-dihydrocyclopenta[d]imidazol-4-one

3-propan-2-yl-5,6-dihydrocyclopenta[d]imidazol-4-one (PubChem CID 83873223) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-propan-2-yl-5,6-dihydrocyclopenta[d]imidazol-4-one.

Molecular Properties

Compound Name3-propan-2-yl-5,6-dihydrocyclopenta[d]imidazol-4-one
PubChem CID83873223
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-propan-2-yl-5,6-dihydrocyclopenta[d]imidazol-4-one
SMILESCC(C)n1cnc2c1C(=O)CC2
InChIInChI=1S/C9H12N2O/c1-6(2)11-5-10-7-3-4-8(12)9(7)11/h5-6H,3-4H2,1-2H3
InChIKeyKKGDEZURQIBWQF-UHFFFAOYSA-N
XLogP1.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5,6-dihydrocyclopenta[d]imidazol-4-one?
The IUPAC name of 3-propan-2-yl-5,6-dihydrocyclopenta[d]imidazol-4-one (CID 83873223) is 3-propan-2-yl-5,6-dihydrocyclopenta[d]imidazol-4-one.
What is the SMILES notation for 3-propan-2-yl-5,6-dihydrocyclopenta[d]imidazol-4-one?
The canonical SMILES for 3-propan-2-yl-5,6-dihydrocyclopenta[d]imidazol-4-one is CC(C)n1cnc2c1C(=O)CC2.
What is the InChIKey of 3-propan-2-yl-5,6-dihydrocyclopenta[d]imidazol-4-one?
The InChIKey is KKGDEZURQIBWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6(2)11-5-10-7-3-4-8(12)9(7)11/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-propan-2-yl-5,6-dihydrocyclopenta[d]imidazol-4-one?
3-propan-2-yl-5,6-dihydrocyclopenta[d]imidazol-4-one has a molecular weight of 164.21 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5,6-dihydrocyclopenta[d]imidazol-4-one is sourced from PubChem (CID 83873223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).