1-[(7R)-7-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]ethanone

C9H12N2O — CID 138979189

IUPAC1-[(7R)-7-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]ethanone
SMILESCC(=O)c1cnc2n1CC[C@H]2C
InChIInChI=1S/C9H12N2O/c1-6-3-4-11-8(7(2)12)5-10-9(6)11/h5-6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyCNKDFONAPBKOSI-ZCFIWIBFSA-N
MW164.21 g/mol
LogP1.59
Rot. Bonds1

About 1-[(7R)-7-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]ethanone

1-[(7R)-7-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]ethanone (PubChem CID 138979189) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-[(7R)-7-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[(7R)-7-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]ethanone
PubChem CID138979189
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-[(7R)-7-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]ethanone
SMILESCC(=O)c1cnc2n1CC[C@H]2C
InChIInChI=1S/C9H12N2O/c1-6-3-4-11-8(7(2)12)5-10-9(6)11/h5-6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyCNKDFONAPBKOSI-ZCFIWIBFSA-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 1-[(7R)-7-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]ethanone?
The IUPAC name of 1-[(7R)-7-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]ethanone (CID 138979189) is 1-[(7R)-7-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]ethanone.
What is the SMILES notation for 1-[(7R)-7-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]ethanone?
The canonical SMILES for 1-[(7R)-7-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]ethanone is CC(=O)c1cnc2n1CC[C@H]2C.
What is the InChIKey of 1-[(7R)-7-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]ethanone?
The InChIKey is CNKDFONAPBKOSI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-3-4-11-8(7(2)12)5-10-9(6)11/h5-6H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of 1-[(7R)-7-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]ethanone?
1-[(7R)-7-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]ethanone 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 1-[(7R)-7-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]ethanone is sourced from PubChem (CID 138979189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).