1-[(2S)-2-aminopropyl]-3-methylimidazol-2-one

C7H13N3O — CID 103934874

IUPAC1-[(2S)-2-aminopropyl]-3-methylimidazol-2-one
SMILESC[C@H](N)Cn1ccn(C)c1=O
InChIInChI=1S/C7H13N3O/c1-6(8)5-10-4-3-9(2)7(10)11/h3-4,6H,5,8H2,1-2H3/t6-/m0/s1
InChIKeySYQLNOCAEYLWFI-LURJTMIESA-N
MW155.20 g/mol
LogP-0.47
Rot. Bonds2

About 1-[(2S)-2-aminopropyl]-3-methylimidazol-2-one

1-[(2S)-2-aminopropyl]-3-methylimidazol-2-one (PubChem CID 103934874) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-[(2S)-2-aminopropyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[(2S)-2-aminopropyl]-3-methylimidazol-2-one
PubChem CID103934874
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-[(2S)-2-aminopropyl]-3-methylimidazol-2-one
SMILESC[C@H](N)Cn1ccn(C)c1=O
InChIInChI=1S/C7H13N3O/c1-6(8)5-10-4-3-9(2)7(10)11/h3-4,6H,5,8H2,1-2H3/t6-/m0/s1
InChIKeySYQLNOCAEYLWFI-LURJTMIESA-N
XLogP-0.47
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopropyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[(2S)-2-aminopropyl]-3-methylimidazol-2-one (CID 103934874) is 1-[(2S)-2-aminopropyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[(2S)-2-aminopropyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[(2S)-2-aminopropyl]-3-methylimidazol-2-one is C[C@H](N)Cn1ccn(C)c1=O.
What is the InChIKey of 1-[(2S)-2-aminopropyl]-3-methylimidazol-2-one?
The InChIKey is SYQLNOCAEYLWFI-LURJTMIESA-N. The full InChI is InChI=1S/C7H13N3O/c1-6(8)5-10-4-3-9(2)7(10)11/h3-4,6H,5,8H2,1-2H3/t6-/m0/s1.
What are the key properties of 1-[(2S)-2-aminopropyl]-3-methylimidazol-2-one?
1-[(2S)-2-aminopropyl]-3-methylimidazol-2-one has a molecular weight of 155.20 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopropyl]-3-methylimidazol-2-one is sourced from PubChem (CID 103934874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).