4-(anilinomethyl)-3-phenyloxolan-2-one

C17H17NO2 — CID 70007773

IUPAC4-(anilinomethyl)-3-phenyloxolan-2-one
SMILESO=C1OCC(CNc2ccccc2)C1c1ccccc1
InChIInChI=1S/C17H17NO2/c19-17-16(13-7-3-1-4-8-13)14(12-20-17)11-18-15-9-5-2-6-10-15/h1-10,14,16,18H,11-12H2
InChIKeyBGFIEGMHSXKNKK-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.06
Rot. Bonds4

About 4-(anilinomethyl)-3-phenyloxolan-2-one

4-(anilinomethyl)-3-phenyloxolan-2-one (PubChem CID 70007773) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(anilinomethyl)-3-phenyloxolan-2-one.

Molecular Properties

Compound Name4-(anilinomethyl)-3-phenyloxolan-2-one
PubChem CID70007773
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4-(anilinomethyl)-3-phenyloxolan-2-one
SMILESO=C1OCC(CNc2ccccc2)C1c1ccccc1
InChIInChI=1S/C17H17NO2/c19-17-16(13-7-3-1-4-8-13)14(12-20-17)11-18-15-9-5-2-6-10-15/h1-10,14,16,18H,11-12H2
InChIKeyBGFIEGMHSXKNKK-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(anilinomethyl)-3-phenyloxolan-2-one?
The IUPAC name of 4-(anilinomethyl)-3-phenyloxolan-2-one (CID 70007773) is 4-(anilinomethyl)-3-phenyloxolan-2-one.
What is the SMILES notation for 4-(anilinomethyl)-3-phenyloxolan-2-one?
The canonical SMILES for 4-(anilinomethyl)-3-phenyloxolan-2-one is O=C1OCC(CNc2ccccc2)C1c1ccccc1.
What is the InChIKey of 4-(anilinomethyl)-3-phenyloxolan-2-one?
The InChIKey is BGFIEGMHSXKNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17-16(13-7-3-1-4-8-13)14(12-20-17)11-18-15-9-5-2-6-10-15/h1-10,14,16,18H,11-12H2.
What are the key properties of 4-(anilinomethyl)-3-phenyloxolan-2-one?
4-(anilinomethyl)-3-phenyloxolan-2-one has a molecular weight of 267.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anilinomethyl)-3-phenyloxolan-2-one is sourced from PubChem (CID 70007773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).