methyl N-propan-2-ylbenzenecarboximidate

C11H15NO — CID 71401486

IUPACmethyl N-propan-2-ylbenzenecarboximidate
SMILESCO/C(=N\C(C)C)c1ccccc1
InChIInChI=1S/C11H15NO/c1-9(2)12-11(13-3)10-7-5-4-6-8-10/h4-9H,1-3H3/b12-11-
InChIKeyZICUCCWXDHATEW-QXMHVHEDSA-N
MW177.25 g/mol
LogP2.49
Rot. Bonds2

About methyl N-propan-2-ylbenzenecarboximidate

methyl N-propan-2-ylbenzenecarboximidate (PubChem CID 71401486) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is methyl N-propan-2-ylbenzenecarboximidate.

Molecular Properties

Compound Namemethyl N-propan-2-ylbenzenecarboximidate
PubChem CID71401486
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Namemethyl N-propan-2-ylbenzenecarboximidate
SMILESCO/C(=N\C(C)C)c1ccccc1
InChIInChI=1S/C11H15NO/c1-9(2)12-11(13-3)10-7-5-4-6-8-10/h4-9H,1-3H3/b12-11-
InChIKeyZICUCCWXDHATEW-QXMHVHEDSA-N
XLogP2.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methyl N-propan-2-ylbenzenecarboximidate?
The IUPAC name of methyl N-propan-2-ylbenzenecarboximidate (CID 71401486) is methyl N-propan-2-ylbenzenecarboximidate.
What is the SMILES notation for methyl N-propan-2-ylbenzenecarboximidate?
The canonical SMILES for methyl N-propan-2-ylbenzenecarboximidate is CO/C(=N\C(C)C)c1ccccc1.
What is the InChIKey of methyl N-propan-2-ylbenzenecarboximidate?
The InChIKey is ZICUCCWXDHATEW-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(2)12-11(13-3)10-7-5-4-6-8-10/h4-9H,1-3H3/b12-11-.
What are the key properties of methyl N-propan-2-ylbenzenecarboximidate?
methyl N-propan-2-ylbenzenecarboximidate has a molecular weight of 177.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-propan-2-ylbenzenecarboximidate is sourced from PubChem (CID 71401486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).