(2S)-4-acetyl-1-decyl-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one

C20H35NO3 — CID 54693640

IUPAC(2S)-4-acetyl-1-decyl-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one
SMILESCCCCCCCCCCN1C(=O)C(C(C)=O)=C(O)[C@@H]1CC(C)C
InChIInChI=1S/C20H35NO3/c1-5-6-7-8-9-10-11-12-13-21-17(14-15(2)3)19(23)18(16(4)22)20(21)24/h15,17,23H,5-14H2,1-4H3/t17-/m0/s1
InChIKeyIVVDVONKVKILPM-KRWDZBQOSA-N
MW337.50 g/mol
LogP4.79
Rot. Bonds12

About (2S)-4-acetyl-1-decyl-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one

(2S)-4-acetyl-1-decyl-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one (PubChem CID 54693640) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is (2S)-4-acetyl-1-decyl-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-4-acetyl-1-decyl-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one
PubChem CID54693640
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name(2S)-4-acetyl-1-decyl-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one
SMILESCCCCCCCCCCN1C(=O)C(C(C)=O)=C(O)[C@@H]1CC(C)C
InChIInChI=1S/C20H35NO3/c1-5-6-7-8-9-10-11-12-13-21-17(14-15(2)3)19(23)18(16(4)22)20(21)24/h15,17,23H,5-14H2,1-4H3/t17-/m0/s1
InChIKeyIVVDVONKVKILPM-KRWDZBQOSA-N
XLogP4.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-acetyl-1-decyl-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one?
The IUPAC name of (2S)-4-acetyl-1-decyl-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one (CID 54693640) is (2S)-4-acetyl-1-decyl-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-4-acetyl-1-decyl-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one?
The canonical SMILES for (2S)-4-acetyl-1-decyl-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one is CCCCCCCCCCN1C(=O)C(C(C)=O)=C(O)[C@@H]1CC(C)C.
What is the InChIKey of (2S)-4-acetyl-1-decyl-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one?
The InChIKey is IVVDVONKVKILPM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H35NO3/c1-5-6-7-8-9-10-11-12-13-21-17(14-15(2)3)19(23)18(16(4)22)20(21)24/h15,17,23H,5-14H2,1-4H3/t17-/m0/s1.
What are the key properties of (2S)-4-acetyl-1-decyl-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one?
(2S)-4-acetyl-1-decyl-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one has a molecular weight of 337.50 g/mol, XLogP of 4.79, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-acetyl-1-decyl-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one is sourced from PubChem (CID 54693640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).