ethanimidoyl 1-propan-2-ylcyclopropane-1-carboximidate

C9H16N2O — CID 134302925

IUPACethanimidoyl 1-propan-2-ylcyclopropane-1-carboximidate
SMILES[H]/N=C(\O/C(C)=N/[H])C1(C(C)C)CC1
InChIInChI=1S/C9H16N2O/c1-6(2)9(4-5-9)8(11)12-7(3)10/h6,10-11H,4-5H2,1-3H3/b10-7+,11-8-
InChIKeyRNJQWGDDAVKFCJ-WAKDDQPJSA-N
MW168.24 g/mol
LogP2.41
Rot. Bonds2

About ethanimidoyl 1-propan-2-ylcyclopropane-1-carboximidate

ethanimidoyl 1-propan-2-ylcyclopropane-1-carboximidate (PubChem CID 134302925) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is ethanimidoyl 1-propan-2-ylcyclopropane-1-carboximidate.

Molecular Properties

Compound Nameethanimidoyl 1-propan-2-ylcyclopropane-1-carboximidate
PubChem CID134302925
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Nameethanimidoyl 1-propan-2-ylcyclopropane-1-carboximidate
SMILES[H]/N=C(\O/C(C)=N/[H])C1(C(C)C)CC1
InChIInChI=1S/C9H16N2O/c1-6(2)9(4-5-9)8(11)12-7(3)10/h6,10-11H,4-5H2,1-3H3/b10-7+,11-8-
InChIKeyRNJQWGDDAVKFCJ-WAKDDQPJSA-N
XLogP2.41
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethanimidoyl 1-propan-2-ylcyclopropane-1-carboximidate?
The IUPAC name of ethanimidoyl 1-propan-2-ylcyclopropane-1-carboximidate (CID 134302925) is ethanimidoyl 1-propan-2-ylcyclopropane-1-carboximidate.
What is the SMILES notation for ethanimidoyl 1-propan-2-ylcyclopropane-1-carboximidate?
The canonical SMILES for ethanimidoyl 1-propan-2-ylcyclopropane-1-carboximidate is [H]/N=C(\O/C(C)=N/[H])C1(C(C)C)CC1.
What is the InChIKey of ethanimidoyl 1-propan-2-ylcyclopropane-1-carboximidate?
The InChIKey is RNJQWGDDAVKFCJ-WAKDDQPJSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6(2)9(4-5-9)8(11)12-7(3)10/h6,10-11H,4-5H2,1-3H3/b10-7+,11-8-.
What are the key properties of ethanimidoyl 1-propan-2-ylcyclopropane-1-carboximidate?
ethanimidoyl 1-propan-2-ylcyclopropane-1-carboximidate has a molecular weight of 168.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimidoyl 1-propan-2-ylcyclopropane-1-carboximidate is sourced from PubChem (CID 134302925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).