1-[(1R,2R)-1-amino-2-ethenylcyclopropyl]propan-1-one

C8H13NO — CID 59336386

IUPAC1-[(1R,2R)-1-amino-2-ethenylcyclopropyl]propan-1-one
SMILESC=C[C@H]1C[C@]1(N)C(=O)CC
InChIInChI=1S/C8H13NO/c1-3-6-5-8(6,9)7(10)4-2/h3,6H,1,4-5,9H2,2H3/t6-,8+/m0/s1
InChIKeyMIMWQMBKYISJSU-POYBYMJQSA-N
MW139.20 g/mol
LogP0.87
Rot. Bonds3

About 1-[(1R,2R)-1-amino-2-ethenylcyclopropyl]propan-1-one

1-[(1R,2R)-1-amino-2-ethenylcyclopropyl]propan-1-one (PubChem CID 59336386) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-[(1R,2R)-1-amino-2-ethenylcyclopropyl]propan-1-one.

Molecular Properties

Compound Name1-[(1R,2R)-1-amino-2-ethenylcyclopropyl]propan-1-one
PubChem CID59336386
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-[(1R,2R)-1-amino-2-ethenylcyclopropyl]propan-1-one
SMILESC=C[C@H]1C[C@]1(N)C(=O)CC
InChIInChI=1S/C8H13NO/c1-3-6-5-8(6,9)7(10)4-2/h3,6H,1,4-5,9H2,2H3/t6-,8+/m0/s1
InChIKeyMIMWQMBKYISJSU-POYBYMJQSA-N
XLogP0.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(1R,2R)-1-amino-2-ethenylcyclopropyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-1-amino-2-ethenylcyclopropyl]propan-1-one?
The IUPAC name of 1-[(1R,2R)-1-amino-2-ethenylcyclopropyl]propan-1-one (CID 59336386) is 1-[(1R,2R)-1-amino-2-ethenylcyclopropyl]propan-1-one.
What is the SMILES notation for 1-[(1R,2R)-1-amino-2-ethenylcyclopropyl]propan-1-one?
The canonical SMILES for 1-[(1R,2R)-1-amino-2-ethenylcyclopropyl]propan-1-one is C=C[C@H]1C[C@]1(N)C(=O)CC.
What is the InChIKey of 1-[(1R,2R)-1-amino-2-ethenylcyclopropyl]propan-1-one?
The InChIKey is MIMWQMBKYISJSU-POYBYMJQSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-6-5-8(6,9)7(10)4-2/h3,6H,1,4-5,9H2,2H3/t6-,8+/m0/s1.
What are the key properties of 1-[(1R,2R)-1-amino-2-ethenylcyclopropyl]propan-1-one?
1-[(1R,2R)-1-amino-2-ethenylcyclopropyl]propan-1-one has a molecular weight of 139.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-1-amino-2-ethenylcyclopropyl]propan-1-one is sourced from PubChem (CID 59336386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).