1-(2-methylphenyl)-N-prop-2-enylmethanimine

C11H13N — CID 59412399

IUPAC1-(2-methylphenyl)-N-prop-2-enylmethanimine
SMILESC=CC/N=C/c1ccccc1C
InChIInChI=1S/C11H13N/c1-3-8-12-9-11-7-5-4-6-10(11)2/h3-7,9H,1,8H2,2H3/b12-9+
InChIKeyPTLAMIJHJPZLID-FMIVXFBMSA-N
MW159.23 g/mol
LogP2.60
Rot. Bonds3

About 1-(2-methylphenyl)-N-prop-2-enylmethanimine

1-(2-methylphenyl)-N-prop-2-enylmethanimine (PubChem CID 59412399) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-prop-2-enylmethanimine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-prop-2-enylmethanimine
PubChem CID59412399
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name1-(2-methylphenyl)-N-prop-2-enylmethanimine
SMILESC=CC/N=C/c1ccccc1C
InChIInChI=1S/C11H13N/c1-3-8-12-9-11-7-5-4-6-10(11)2/h3-7,9H,1,8H2,2H3/b12-9+
InChIKeyPTLAMIJHJPZLID-FMIVXFBMSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-prop-2-enylmethanimine?
The IUPAC name of 1-(2-methylphenyl)-N-prop-2-enylmethanimine (CID 59412399) is 1-(2-methylphenyl)-N-prop-2-enylmethanimine.
What is the SMILES notation for 1-(2-methylphenyl)-N-prop-2-enylmethanimine?
The canonical SMILES for 1-(2-methylphenyl)-N-prop-2-enylmethanimine is C=CC/N=C/c1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)-N-prop-2-enylmethanimine?
The InChIKey is PTLAMIJHJPZLID-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H13N/c1-3-8-12-9-11-7-5-4-6-10(11)2/h3-7,9H,1,8H2,2H3/b12-9+.
What are the key properties of 1-(2-methylphenyl)-N-prop-2-enylmethanimine?
1-(2-methylphenyl)-N-prop-2-enylmethanimine has a molecular weight of 159.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-prop-2-enylmethanimine is sourced from PubChem (CID 59412399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).