(5R)-5-[(E,3R)-3-hydroxy-7-phenylhept-1-en-6-ynyl]pyrrolidin-2-one

C17H19NO2 — CID 141427044

IUPAC(5R)-5-[(E,3R)-3-hydroxy-7-phenylhept-1-en-6-ynyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](/C=C/[C@H](O)CCC#Cc2ccccc2)N1
InChIInChI=1S/C17H19NO2/c19-16(12-10-15-11-13-17(20)18-15)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10,12,15-16,19H,5,9,11,13H2,(H,18,20)/b12-10+/t15-,16+/m0/s1
InChIKeyVUZLVAYHWHXMQM-AOOXPWSASA-N
MW269.34 g/mol
LogP2.01
Rot. Bonds4

About (5R)-5-[(E,3R)-3-hydroxy-7-phenylhept-1-en-6-ynyl]pyrrolidin-2-one

(5R)-5-[(E,3R)-3-hydroxy-7-phenylhept-1-en-6-ynyl]pyrrolidin-2-one (PubChem CID 141427044) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (5R)-5-[(E,3R)-3-hydroxy-7-phenylhept-1-en-6-ynyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(E,3R)-3-hydroxy-7-phenylhept-1-en-6-ynyl]pyrrolidin-2-one
PubChem CID141427044
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(5R)-5-[(E,3R)-3-hydroxy-7-phenylhept-1-en-6-ynyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](/C=C/[C@H](O)CCC#Cc2ccccc2)N1
InChIInChI=1S/C17H19NO2/c19-16(12-10-15-11-13-17(20)18-15)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10,12,15-16,19H,5,9,11,13H2,(H,18,20)/b12-10+/t15-,16+/m0/s1
InChIKeyVUZLVAYHWHXMQM-AOOXPWSASA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-[(E,3S)-3-hydroxy-4-methyl-7-phenylhept-1-en-6-ynyl]pyrrolidin-2-one
CID 141427034
7-[(2R)-2-[(E,3S)-3-hydroxy-7-phenylhept-1-en-6-ynyl]-5-oxopyrrolidin-1-yl]heptanoic acid
CID 90451597
(5R)-5-[(E,3S,4S)-3-hydroxy-4-methyl-8-phenyloct-1-en-6-ynyl]pyrrolidin-2-one
CID 141415976
(5R)-5-[(E,3S,4S)-3-hydroxy-4-methyl-9-phenylnon-1-en-6-ynyl]pyrrolidin-2-one
CID 141415961
4-(4-phenylbut-3-ynyl)azetidin-2-one
CID 10821857
4-[2-[(5R)-3,3-difluoro-5-[(3S)-3-hydroxy-7-phenylhept-1-en-6-ynyl]-2-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 118160270
4-[2-[(5R)-3,3-difluoro-5-[(E,3S)-3-hydroxy-7-phenylhept-1-en-6-ynyl]-2-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 72950756
(5R)-5-[(E,3S)-3-hydroxyhept-1-en-4-ynyl]pyrrolidin-2-one
CID 141415980
(5R)-5-[(E)-3-hydroxy-3-[5-(trifluoromethyl)furan-2-yl]prop-1-enyl]pyrrolidin-2-one
CID 141111144
2-(5-phenylpent-4-ynyl)cyclopentan-1-one
CID 101452547
(5R)-5-[(E)-3-hydroxy-3-[3-(2-methylphenyl)phenyl]prop-1-enyl]pyrrolidin-2-one
CID 141060681
(5R)-5-[(E)-3-hydroxy-3-[3-[(Z)-prop-1-enyl]phenyl]prop-1-enyl]pyrrolidin-2-one
CID 141111140

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(E,3R)-3-hydroxy-7-phenylhept-1-en-6-ynyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(E,3R)-3-hydroxy-7-phenylhept-1-en-6-ynyl]pyrrolidin-2-one (CID 141427044) is (5R)-5-[(E,3R)-3-hydroxy-7-phenylhept-1-en-6-ynyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(E,3R)-3-hydroxy-7-phenylhept-1-en-6-ynyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(E,3R)-3-hydroxy-7-phenylhept-1-en-6-ynyl]pyrrolidin-2-one is O=C1CC[C@H](/C=C/[C@H](O)CCC#Cc2ccccc2)N1.
What is the InChIKey of (5R)-5-[(E,3R)-3-hydroxy-7-phenylhept-1-en-6-ynyl]pyrrolidin-2-one?
The InChIKey is VUZLVAYHWHXMQM-AOOXPWSASA-N. The full InChI is InChI=1S/C17H19NO2/c19-16(12-10-15-11-13-17(20)18-15)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10,12,15-16,19H,5,9,11,13H2,(H,18,20)/b12-10+/t15-,16+/m0/s1.
What are the key properties of (5R)-5-[(E,3R)-3-hydroxy-7-phenylhept-1-en-6-ynyl]pyrrolidin-2-one?
(5R)-5-[(E,3R)-3-hydroxy-7-phenylhept-1-en-6-ynyl]pyrrolidin-2-one has a molecular weight of 269.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(E,3R)-3-hydroxy-7-phenylhept-1-en-6-ynyl]pyrrolidin-2-one is sourced from PubChem (CID 141427044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).