(5Z)-4-phenyl-5-(propylsulfanylmethylidene)pyrrol-2-one

C14H15NOS — CID 162657847

IUPAC(5Z)-4-phenyl-5-(propylsulfanylmethylidene)pyrrol-2-one
SMILESCCCS/C=C1\NC(=O)C=C1c1ccccc1
InChIInChI=1S/C14H15NOS/c1-2-8-17-10-13-12(9-14(16)15-13)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,15,16)/b13-10-
InChIKeyCRHKQMWMASGBHW-RAXLEYEMSA-N
MW245.35 g/mol
LogP3.18
Rot. Bonds4

About (5Z)-4-phenyl-5-(propylsulfanylmethylidene)pyrrol-2-one

(5Z)-4-phenyl-5-(propylsulfanylmethylidene)pyrrol-2-one (PubChem CID 162657847) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is (5Z)-4-phenyl-5-(propylsulfanylmethylidene)pyrrol-2-one.

Molecular Properties

Compound Name(5Z)-4-phenyl-5-(propylsulfanylmethylidene)pyrrol-2-one
PubChem CID162657847
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name(5Z)-4-phenyl-5-(propylsulfanylmethylidene)pyrrol-2-one
SMILESCCCS/C=C1\NC(=O)C=C1c1ccccc1
InChIInChI=1S/C14H15NOS/c1-2-8-17-10-13-12(9-14(16)15-13)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,15,16)/b13-10-
InChIKeyCRHKQMWMASGBHW-RAXLEYEMSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile
CID 1471774
3-(benzylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone
CID 1479284
(5Z)-4-(4-bromophenyl)-5-(propylsulfanylmethylidene)pyrrol-2-one
CID 162672830
5-Methylidene-4-phenylpyrrol-2-one
CID 16663238
4-(4-Fluorophenyl)-5-methylidenepyrrol-2-one
CID 24782362
4-(2-Fluorophenyl)-5-methylidenepyrrol-2-one
CID 24782365
4-(3-Fluorophenyl)-5-methylidenepyrrol-2-one
CID 24782366
5-Methylidene-4-(4-methylphenyl)pyrrol-2-one
CID 90329702
4-(4-Ethylphenyl)-5-methylidenepyrrol-2-one
CID 155548952
4-(4-Fluorophenyl)-3-methyl-5-methylidenepyrrol-2-one
CID 155520548
(5Z)-5-(bromomethylidene)-4-phenylpyrrol-2-one
CID 155529815
4-(2-Fluorophenyl)-3-methyl-5-methylidenepyrrol-2-one
CID 155544835

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-phenyl-5-(propylsulfanylmethylidene)pyrrol-2-one?
The IUPAC name of (5Z)-4-phenyl-5-(propylsulfanylmethylidene)pyrrol-2-one (CID 162657847) is (5Z)-4-phenyl-5-(propylsulfanylmethylidene)pyrrol-2-one.
What is the SMILES notation for (5Z)-4-phenyl-5-(propylsulfanylmethylidene)pyrrol-2-one?
The canonical SMILES for (5Z)-4-phenyl-5-(propylsulfanylmethylidene)pyrrol-2-one is CCCS/C=C1\NC(=O)C=C1c1ccccc1.
What is the InChIKey of (5Z)-4-phenyl-5-(propylsulfanylmethylidene)pyrrol-2-one?
The InChIKey is CRHKQMWMASGBHW-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H15NOS/c1-2-8-17-10-13-12(9-14(16)15-13)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,15,16)/b13-10-.
What are the key properties of (5Z)-4-phenyl-5-(propylsulfanylmethylidene)pyrrol-2-one?
(5Z)-4-phenyl-5-(propylsulfanylmethylidene)pyrrol-2-one has a molecular weight of 245.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-phenyl-5-(propylsulfanylmethylidene)pyrrol-2-one is sourced from PubChem (CID 162657847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).