(5E)-1-benzyl-5-butylidene-3-hydroxypyrrol-2-one

C15H17NO2 — CID 10060335

IUPAC(5E)-1-benzyl-5-butylidene-3-hydroxypyrrol-2-one
SMILESCCC/C=C1\C=C(O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H17NO2/c1-2-3-9-13-10-14(17)15(18)16(13)11-12-7-5-4-6-8-12/h4-10,17H,2-3,11H2,1H3/b13-9+
InChIKeyLYRKCIJUQQJLRB-UKTHLTGXSA-N
MW243.31 g/mol
LogP3.15
Rot. Bonds4

About (5E)-1-benzyl-5-butylidene-3-hydroxypyrrol-2-one

(5E)-1-benzyl-5-butylidene-3-hydroxypyrrol-2-one (PubChem CID 10060335) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (5E)-1-benzyl-5-butylidene-3-hydroxypyrrol-2-one.

Molecular Properties

Compound Name(5E)-1-benzyl-5-butylidene-3-hydroxypyrrol-2-one
PubChem CID10060335
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(5E)-1-benzyl-5-butylidene-3-hydroxypyrrol-2-one
SMILESCCC/C=C1\C=C(O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H17NO2/c1-2-3-9-13-10-14(17)15(18)16(13)11-12-7-5-4-6-8-12/h4-10,17H,2-3,11H2,1H3/b13-9+
InChIKeyLYRKCIJUQQJLRB-UKTHLTGXSA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-1-benzyl-5-butylidene-3-hydroxypyrrol-2-one?
The IUPAC name of (5E)-1-benzyl-5-butylidene-3-hydroxypyrrol-2-one (CID 10060335) is (5E)-1-benzyl-5-butylidene-3-hydroxypyrrol-2-one.
What is the SMILES notation for (5E)-1-benzyl-5-butylidene-3-hydroxypyrrol-2-one?
The canonical SMILES for (5E)-1-benzyl-5-butylidene-3-hydroxypyrrol-2-one is CCC/C=C1\C=C(O)C(=O)N1Cc1ccccc1.
What is the InChIKey of (5E)-1-benzyl-5-butylidene-3-hydroxypyrrol-2-one?
The InChIKey is LYRKCIJUQQJLRB-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-3-9-13-10-14(17)15(18)16(13)11-12-7-5-4-6-8-12/h4-10,17H,2-3,11H2,1H3/b13-9+.
What are the key properties of (5E)-1-benzyl-5-butylidene-3-hydroxypyrrol-2-one?
(5E)-1-benzyl-5-butylidene-3-hydroxypyrrol-2-one has a molecular weight of 243.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-benzyl-5-butylidene-3-hydroxypyrrol-2-one is sourced from PubChem (CID 10060335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).