1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one

C6H11N3O — CID 142858674

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one
SMILESCC(=O)CNC1=NCCN1
InChIInChI=1S/C6H11N3O/c1-5(10)4-9-6-7-2-3-8-6/h2-4H2,1H3,(H2,7,8,9)
InChIKeyWRGGGXSNCMHQEO-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.88
Rot. Bonds2

About 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one

1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one (PubChem CID 142858674) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one
PubChem CID142858674
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one
SMILESCC(=O)CNC1=NCCN1
InChIInChI=1S/C6H11N3O/c1-5(10)4-9-6-7-2-3-8-6/h2-4H2,1H3,(H2,7,8,9)
InChIKeyWRGGGXSNCMHQEO-UHFFFAOYSA-N
XLogP-0.88
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one (CID 142858674) is 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one is CC(=O)CNC1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one?
The InChIKey is WRGGGXSNCMHQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(10)4-9-6-7-2-3-8-6/h2-4H2,1H3,(H2,7,8,9).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one?
1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one has a molecular weight of 141.17 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one is sourced from PubChem (CID 142858674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).