2-methyloxirane;N-phenylaniline

C15H17NO — CID 174992525

IUPAC2-methyloxirane;N-phenylaniline
SMILESCC1CO1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H11N.C3H6O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-2-4-3/h1-10,13H;3H,2H2,1H3
InChIKeyQVMJCEGSZCLKSK-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.84
Rot. Bonds2

About 2-methyloxirane;N-phenylaniline

2-methyloxirane;N-phenylaniline (PubChem CID 174992525) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-methyloxirane;N-phenylaniline.

Molecular Properties

Compound Name2-methyloxirane;N-phenylaniline
PubChem CID174992525
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-methyloxirane;N-phenylaniline
SMILESCC1CO1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H11N.C3H6O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-2-4-3/h1-10,13H;3H,2H2,1H3
InChIKeyQVMJCEGSZCLKSK-UHFFFAOYSA-N
XLogP3.84
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyloxirane;N-phenylaniline?
The IUPAC name of 2-methyloxirane;N-phenylaniline (CID 174992525) is 2-methyloxirane;N-phenylaniline.
What is the SMILES notation for 2-methyloxirane;N-phenylaniline?
The canonical SMILES for 2-methyloxirane;N-phenylaniline is CC1CO1.c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 2-methyloxirane;N-phenylaniline?
The InChIKey is QVMJCEGSZCLKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.C3H6O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-2-4-3/h1-10,13H;3H,2H2,1H3.
What are the key properties of 2-methyloxirane;N-phenylaniline?
2-methyloxirane;N-phenylaniline has a molecular weight of 227.31 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane;N-phenylaniline is sourced from PubChem (CID 174992525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).