[(1R)-1-acetyl-2-ethenylcyclopropyl]-methylazanium

C8H14NO+ — CID 59963696

IUPAC[(1R)-1-acetyl-2-ethenylcyclopropyl]-methylazanium
SMILESC=CC1C[C@]1([NH2+]C)C(C)=O
InChIInChI=1S/C8H13NO/c1-4-7-5-8(7,9-3)6(2)10/h4,7,9H,1,5H2,2-3H3/p+1/t7?,8-/m0/s1
InChIKeyLCHYXZPSELOKEP-MQWKRIRWSA-O
MW140.21 g/mol
LogP-0.29
Rot. Bonds3

About [(1R)-1-acetyl-2-ethenylcyclopropyl]-methylazanium

[(1R)-1-acetyl-2-ethenylcyclopropyl]-methylazanium (PubChem CID 59963696) has the molecular formula C8H14NO+ and a molecular weight of 140.21 g/mol. Its IUPAC name is [(1R)-1-acetyl-2-ethenylcyclopropyl]-methylazanium.

Molecular Properties

Compound Name[(1R)-1-acetyl-2-ethenylcyclopropyl]-methylazanium
PubChem CID59963696
Molecular FormulaC8H14NO+
Molecular Weight140.21 g/mol
Exact Mass140.11
IUPAC Name[(1R)-1-acetyl-2-ethenylcyclopropyl]-methylazanium
SMILESC=CC1C[C@]1([NH2+]C)C(C)=O
InChIInChI=1S/C8H13NO/c1-4-7-5-8(7,9-3)6(2)10/h4,7,9H,1,5H2,2-3H3/p+1/t7?,8-/m0/s1
InChIKeyLCHYXZPSELOKEP-MQWKRIRWSA-O
XLogP-0.29
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-acetyl-2-ethenylcyclopropyl]-methylazanium?
The IUPAC name of [(1R)-1-acetyl-2-ethenylcyclopropyl]-methylazanium (CID 59963696) is [(1R)-1-acetyl-2-ethenylcyclopropyl]-methylazanium.
What is the SMILES notation for [(1R)-1-acetyl-2-ethenylcyclopropyl]-methylazanium?
The canonical SMILES for [(1R)-1-acetyl-2-ethenylcyclopropyl]-methylazanium is C=CC1C[C@]1([NH2+]C)C(C)=O.
What is the InChIKey of [(1R)-1-acetyl-2-ethenylcyclopropyl]-methylazanium?
The InChIKey is LCHYXZPSELOKEP-MQWKRIRWSA-O. 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/p+1/t7?,8-/m0/s1.
What are the key properties of [(1R)-1-acetyl-2-ethenylcyclopropyl]-methylazanium?
[(1R)-1-acetyl-2-ethenylcyclopropyl]-methylazanium has a molecular weight of 140.21 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-acetyl-2-ethenylcyclopropyl]-methylazanium is sourced from PubChem (CID 59963696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).