(2R)-2-(2-methylpropyl)-3-phenylmethoxy-1,2-dihydropyrrol-5-one

C15H19NO2 — CID 15948210

IUPAC(2R)-2-(2-methylpropyl)-3-phenylmethoxy-1,2-dihydropyrrol-5-one
SMILESCC(C)C[C@H]1NC(=O)C=C1OCc1ccccc1
InChIInChI=1S/C15H19NO2/c1-11(2)8-13-14(9-15(17)16-13)18-10-12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyKIWWCOYBDAHBNO-CYBMUJFWSA-N
MW245.32 g/mol
LogP2.63
Rot. Bonds5

About (2R)-2-(2-methylpropyl)-3-phenylmethoxy-1,2-dihydropyrrol-5-one

(2R)-2-(2-methylpropyl)-3-phenylmethoxy-1,2-dihydropyrrol-5-one (PubChem CID 15948210) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (2R)-2-(2-methylpropyl)-3-phenylmethoxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-(2-methylpropyl)-3-phenylmethoxy-1,2-dihydropyrrol-5-one
PubChem CID15948210
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(2R)-2-(2-methylpropyl)-3-phenylmethoxy-1,2-dihydropyrrol-5-one
SMILESCC(C)C[C@H]1NC(=O)C=C1OCc1ccccc1
InChIInChI=1S/C15H19NO2/c1-11(2)8-13-14(9-15(17)16-13)18-10-12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyKIWWCOYBDAHBNO-CYBMUJFWSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpropyl)-3-phenylmethoxy-1,2-dihydropyrrol-5-one?
The IUPAC name of (2R)-2-(2-methylpropyl)-3-phenylmethoxy-1,2-dihydropyrrol-5-one (CID 15948210) is (2R)-2-(2-methylpropyl)-3-phenylmethoxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2R)-2-(2-methylpropyl)-3-phenylmethoxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2R)-2-(2-methylpropyl)-3-phenylmethoxy-1,2-dihydropyrrol-5-one is CC(C)C[C@H]1NC(=O)C=C1OCc1ccccc1.
What is the InChIKey of (2R)-2-(2-methylpropyl)-3-phenylmethoxy-1,2-dihydropyrrol-5-one?
The InChIKey is KIWWCOYBDAHBNO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11(2)8-13-14(9-15(17)16-13)18-10-12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-methylpropyl)-3-phenylmethoxy-1,2-dihydropyrrol-5-one?
(2R)-2-(2-methylpropyl)-3-phenylmethoxy-1,2-dihydropyrrol-5-one has a molecular weight of 245.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpropyl)-3-phenylmethoxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 15948210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).