[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]azanium

C7H12NO+ — CID 59533456

IUPAC[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]azanium
SMILESC=C[C@@H]1C[C@]1([NH3+])C(C)=O
InChIInChI=1S/C7H11NO/c1-3-6-4-7(6,8)5(2)9/h3,6H,1,4,8H2,2H3/p+1/t6-,7+/m1/s1
InChIKeyAKONXAIKHSMXMD-RQJHMYQMSA-O
MW126.18 g/mol
LogP-0.24
Rot. Bonds2

About [(1R,2S)-1-acetyl-2-ethenylcyclopropyl]azanium

[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]azanium (PubChem CID 59533456) has the molecular formula C7H12NO+ and a molecular weight of 126.18 g/mol. Its IUPAC name is [(1R,2S)-1-acetyl-2-ethenylcyclopropyl]azanium.

Molecular Properties

Compound Name[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]azanium
PubChem CID59533456
Molecular FormulaC7H12NO+
Molecular Weight126.18 g/mol
Exact Mass126.09
IUPAC Name[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]azanium
SMILESC=C[C@@H]1C[C@]1([NH3+])C(C)=O
InChIInChI=1S/C7H11NO/c1-3-6-4-7(6,8)5(2)9/h3,6H,1,4,8H2,2H3/p+1/t6-,7+/m1/s1
InChIKeyAKONXAIKHSMXMD-RQJHMYQMSA-O
XLogP-0.24
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 5-0.24
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,2S)-1-acetyl-2-ethenylcyclopropyl]azanium?
The IUPAC name of [(1R,2S)-1-acetyl-2-ethenylcyclopropyl]azanium (CID 59533456) is [(1R,2S)-1-acetyl-2-ethenylcyclopropyl]azanium.
What is the SMILES notation for [(1R,2S)-1-acetyl-2-ethenylcyclopropyl]azanium?
The canonical SMILES for [(1R,2S)-1-acetyl-2-ethenylcyclopropyl]azanium is C=C[C@@H]1C[C@]1([NH3+])C(C)=O.
What is the InChIKey of [(1R,2S)-1-acetyl-2-ethenylcyclopropyl]azanium?
The InChIKey is AKONXAIKHSMXMD-RQJHMYQMSA-O. The full InChI is InChI=1S/C7H11NO/c1-3-6-4-7(6,8)5(2)9/h3,6H,1,4,8H2,2H3/p+1/t6-,7+/m1/s1.
What are the key properties of [(1R,2S)-1-acetyl-2-ethenylcyclopropyl]azanium?
[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]azanium has a molecular weight of 126.18 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-acetyl-2-ethenylcyclopropyl]azanium is sourced from PubChem (CID 59533456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).