(5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one

C14H17NO — CID 15373975

IUPAC(5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESC/C=C1/CCC(=O)N1[C@@H](C)c1ccccc1
InChIInChI=1S/C14H17NO/c1-3-13-9-10-14(16)15(13)11(2)12-7-5-4-6-8-12/h3-8,11H,9-10H2,1-2H3/b13-3-/t11-/m0/s1
InChIKeyJQYIQIVEUOIMDX-FGNSTJNDSA-N
MW215.30 g/mol
LogP3.27
Rot. Bonds2

About (5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one

(5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 15373975) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
PubChem CID15373975
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESC/C=C1/CCC(=O)N1[C@@H](C)c1ccccc1
InChIInChI=1S/C14H17NO/c1-3-13-9-10-14(16)15(13)11(2)12-7-5-4-6-8-12/h3-8,11H,9-10H2,1-2H3/b13-3-/t11-/m0/s1
InChIKeyJQYIQIVEUOIMDX-FGNSTJNDSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of (5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (CID 15373975) is (5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for (5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for (5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is C/C=C1/CCC(=O)N1[C@@H](C)c1ccccc1.
What is the InChIKey of (5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is JQYIQIVEUOIMDX-FGNSTJNDSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-13-9-10-14(16)15(13)11(2)12-7-5-4-6-8-12/h3-8,11H,9-10H2,1-2H3/b13-3-/t11-/m0/s1.
What are the key properties of (5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
(5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 215.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 15373975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).