1-[(1R,2S)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone

C8H13NO — CID 59493438

IUPAC1-[(1R,2S)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone
SMILESC=C[C@@H]1C[C@]1(NC)C(C)=O
InChIInChI=1S/C8H13NO/c1-4-7-5-8(7,9-3)6(2)10/h4,7,9H,1,5H2,2-3H3/t7-,8+/m1/s1
InChIKeyLCHYXZPSELOKEP-SFYZADRCSA-N
MW139.20 g/mol
LogP0.74
Rot. Bonds3

About 1-[(1R,2S)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone

1-[(1R,2S)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone (PubChem CID 59493438) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-[(1R,2S)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone
PubChem CID59493438
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-[(1R,2S)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone
SMILESC=C[C@@H]1C[C@]1(NC)C(C)=O
InChIInChI=1S/C8H13NO/c1-4-7-5-8(7,9-3)6(2)10/h4,7,9H,1,5H2,2-3H3/t7-,8+/m1/s1
InChIKeyLCHYXZPSELOKEP-SFYZADRCSA-N
XLogP0.74
TPSA29.10 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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(Methylamino)cyclopent-3-en-1-yl]propan-1-one
CID 21303749
1-(1-Amino-2-ethenylcyclopropyl)ethanone
CID 22082809
1-[2-Ethenyl-1-(methylamino)cyclopropyl]ethanone
CID 22082822
1-[(2S)-1-amino-2-ethenylcyclopropyl]ethanone
CID 58719483
1-[(1R,2S)-1-(tert-butylamino)-2-ethenylcyclopropyl]-2-methylpropan-1-one
CID 58988641
1-[(1R,2S)-1-amino-2-ethenylcyclopropyl]ethanone
CID 59108284
1-[(1R,2S)-1-(tert-butylamino)-2-ethenylcyclopropyl]-2,2-dimethylpropan-1-one
CID 59259582
1-[(1R,2R)-1-amino-2-ethenylcyclopropyl]propan-1-one
CID 59336386
[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]azanium
CID 59533456
1-[(1R)-1-amino-2-ethenylcyclopropyl]ethanone
CID 59901264
[(1R)-1-acetyl-2-ethenylcyclopropyl]-methylazanium
CID 59963696
1-[(1R)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone
CID 59963697

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone?
The IUPAC name of 1-[(1R,2S)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone (CID 59493438) is 1-[(1R,2S)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1R,2S)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone?
The canonical SMILES for 1-[(1R,2S)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone is C=C[C@@H]1C[C@]1(NC)C(C)=O.
What is the InChIKey of 1-[(1R,2S)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone?
The InChIKey is LCHYXZPSELOKEP-SFYZADRCSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-7-5-8(7,9-3)6(2)10/h4,7,9H,1,5H2,2-3H3/t7-,8+/m1/s1.
What are the key properties of 1-[(1R,2S)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone?
1-[(1R,2S)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone has a molecular weight of 139.20 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone is sourced from PubChem (CID 59493438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).