3-amino-4-(1H-imidazol-2-yl)butan-2-one

C7H11N3O — CID 21126130

IUPAC3-amino-4-(1H-imidazol-2-yl)butan-2-one
SMILESCC(=O)C(N)Cc1ncc[nH]1
InChIInChI=1S/C7H11N3O/c1-5(11)6(8)4-7-9-2-3-10-7/h2-3,6H,4,8H2,1H3,(H,9,10)
InChIKeyRNFCNUVODWLOSJ-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.13
Rot. Bonds3

About 3-amino-4-(1H-imidazol-2-yl)butan-2-one

3-amino-4-(1H-imidazol-2-yl)butan-2-one (PubChem CID 21126130) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 3-amino-4-(1H-imidazol-2-yl)butan-2-one.

Molecular Properties

Compound Name3-amino-4-(1H-imidazol-2-yl)butan-2-one
PubChem CID21126130
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name3-amino-4-(1H-imidazol-2-yl)butan-2-one
SMILESCC(=O)C(N)Cc1ncc[nH]1
InChIInChI=1S/C7H11N3O/c1-5(11)6(8)4-7-9-2-3-10-7/h2-3,6H,4,8H2,1H3,(H,9,10)
InChIKeyRNFCNUVODWLOSJ-UHFFFAOYSA-N
XLogP-0.13
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1H-imidazol-2-yl)butan-2-one?
The IUPAC name of 3-amino-4-(1H-imidazol-2-yl)butan-2-one (CID 21126130) is 3-amino-4-(1H-imidazol-2-yl)butan-2-one.
What is the SMILES notation for 3-amino-4-(1H-imidazol-2-yl)butan-2-one?
The canonical SMILES for 3-amino-4-(1H-imidazol-2-yl)butan-2-one is CC(=O)C(N)Cc1ncc[nH]1.
What is the InChIKey of 3-amino-4-(1H-imidazol-2-yl)butan-2-one?
The InChIKey is RNFCNUVODWLOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5(11)6(8)4-7-9-2-3-10-7/h2-3,6H,4,8H2,1H3,(H,9,10).
What are the key properties of 3-amino-4-(1H-imidazol-2-yl)butan-2-one?
3-amino-4-(1H-imidazol-2-yl)butan-2-one has a molecular weight of 153.19 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1H-imidazol-2-yl)butan-2-one is sourced from PubChem (CID 21126130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).