1-(1-methanimidoylcyclopropyl)propan-1-one

C7H11NO — CID 89053183

IUPAC1-(1-methanimidoylcyclopropyl)propan-1-one
SMILES[H]/N=C/C1(C(=O)CC)CC1
InChIInChI=1S/C7H11NO/c1-2-6(9)7(5-8)3-4-7/h5,8H,2-4H2,1H3/b8-5+
InChIKeyFKCYSIVBXBVMKT-VMPITWQZSA-N
MW125.17 g/mol
LogP1.40
Rot. Bonds3

About 1-(1-methanimidoylcyclopropyl)propan-1-one

1-(1-methanimidoylcyclopropyl)propan-1-one (PubChem CID 89053183) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(1-methanimidoylcyclopropyl)propan-1-one.

Molecular Properties

Compound Name1-(1-methanimidoylcyclopropyl)propan-1-one
PubChem CID89053183
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-(1-methanimidoylcyclopropyl)propan-1-one
SMILES[H]/N=C/C1(C(=O)CC)CC1
InChIInChI=1S/C7H11NO/c1-2-6(9)7(5-8)3-4-7/h5,8H,2-4H2,1H3/b8-5+
InChIKeyFKCYSIVBXBVMKT-VMPITWQZSA-N
XLogP1.40
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methanimidoylcyclopropyl)propan-1-one?
The IUPAC name of 1-(1-methanimidoylcyclopropyl)propan-1-one (CID 89053183) is 1-(1-methanimidoylcyclopropyl)propan-1-one.
What is the SMILES notation for 1-(1-methanimidoylcyclopropyl)propan-1-one?
The canonical SMILES for 1-(1-methanimidoylcyclopropyl)propan-1-one is [H]/N=C/C1(C(=O)CC)CC1.
What is the InChIKey of 1-(1-methanimidoylcyclopropyl)propan-1-one?
The InChIKey is FKCYSIVBXBVMKT-VMPITWQZSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-6(9)7(5-8)3-4-7/h5,8H,2-4H2,1H3/b8-5+.
What are the key properties of 1-(1-methanimidoylcyclopropyl)propan-1-one?
1-(1-methanimidoylcyclopropyl)propan-1-one has a molecular weight of 125.17 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methanimidoylcyclopropyl)propan-1-one is sourced from PubChem (CID 89053183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).