phenyl N-propan-2-ylmethanimidate

C10H13NO — CID 150019240

IUPACphenyl N-propan-2-ylmethanimidate
SMILESCC(C)/N=C/Oc1ccccc1
InChIInChI=1S/C10H13NO/c1-9(2)11-8-12-10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8+
InChIKeyDEXOJUAULKOMDT-DHZHZOJOSA-N
MW163.22 g/mol
LogP2.50
Rot. Bonds3

About phenyl N-propan-2-ylmethanimidate

phenyl N-propan-2-ylmethanimidate (PubChem CID 150019240) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is phenyl N-propan-2-ylmethanimidate.

Molecular Properties

Compound Namephenyl N-propan-2-ylmethanimidate
PubChem CID150019240
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Namephenyl N-propan-2-ylmethanimidate
SMILESCC(C)/N=C/Oc1ccccc1
InChIInChI=1S/C10H13NO/c1-9(2)11-8-12-10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8+
InChIKeyDEXOJUAULKOMDT-DHZHZOJOSA-N
XLogP2.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.50
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 phenyl N-propan-2-ylmethanimidate?
The IUPAC name of phenyl N-propan-2-ylmethanimidate (CID 150019240) is phenyl N-propan-2-ylmethanimidate.
What is the SMILES notation for phenyl N-propan-2-ylmethanimidate?
The canonical SMILES for phenyl N-propan-2-ylmethanimidate is CC(C)/N=C/Oc1ccccc1.
What is the InChIKey of phenyl N-propan-2-ylmethanimidate?
The InChIKey is DEXOJUAULKOMDT-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H13NO/c1-9(2)11-8-12-10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8+.
What are the key properties of phenyl N-propan-2-ylmethanimidate?
phenyl N-propan-2-ylmethanimidate has a molecular weight of 163.22 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-propan-2-ylmethanimidate is sourced from PubChem (CID 150019240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).