(2E)-2-(2-oxoundecylidene)-5-propan-2-yl-1,3-oxazolidin-4-one

C17H29NO3 — CID 134284799

IUPAC(2E)-2-(2-oxoundecylidene)-5-propan-2-yl-1,3-oxazolidin-4-one
SMILESCCCCCCCCCC(=O)/C=C1\NC(=O)C(C(C)C)O1
InChIInChI=1S/C17H29NO3/c1-4-5-6-7-8-9-10-11-14(19)12-15-18-17(20)16(21-15)13(2)3/h12-13,16H,4-11H2,1-3H3,(H,18,20)/b15-12+
InChIKeyFVQKAGAGEXLLSE-NTCAYCPXSA-N
MW295.42 g/mol
LogP3.71
Rot. Bonds10

About (2E)-2-(2-oxoundecylidene)-5-propan-2-yl-1,3-oxazolidin-4-one

(2E)-2-(2-oxoundecylidene)-5-propan-2-yl-1,3-oxazolidin-4-one (PubChem CID 134284799) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is (2E)-2-(2-oxoundecylidene)-5-propan-2-yl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-(2-oxoundecylidene)-5-propan-2-yl-1,3-oxazolidin-4-one
PubChem CID134284799
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name(2E)-2-(2-oxoundecylidene)-5-propan-2-yl-1,3-oxazolidin-4-one
SMILESCCCCCCCCCC(=O)/C=C1\NC(=O)C(C(C)C)O1
InChIInChI=1S/C17H29NO3/c1-4-5-6-7-8-9-10-11-14(19)12-15-18-17(20)16(21-15)13(2)3/h12-13,16H,4-11H2,1-3H3,(H,18,20)/b15-12+
InChIKeyFVQKAGAGEXLLSE-NTCAYCPXSA-N
XLogP3.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.71
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_1', 'substructure': 'N/A'}

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Related Compounds

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CID 54325659
3-tetradecanoyl-4-tridecyloxetan-2-one
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hexanehydrazide;pyrrole-2,5-dione
CID 175186516
1-cyclohexylidenetetradecan-2-one
CID 103457909
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(2S)-2-(heptanoylamino)propanoic acid
CID 59127847
N-[(3S,6R,9S,12R,15S,16R)-9,12-bis(hydroxymethyl)-16-methyl-2,5,8,11,14-pentaoxo-3,6-di(propan-2-yl)-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]dodecanamide
CID 162814623
(7E,9E)-henicosa-7,9-diene-6,11-dione
CID 56936226
nonadec-1-en-3-one
CID 3326465
tritriacont-1-en-3-one
CID 153436316
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CID 150179955

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-oxoundecylidene)-5-propan-2-yl-1,3-oxazolidin-4-one?
The IUPAC name of (2E)-2-(2-oxoundecylidene)-5-propan-2-yl-1,3-oxazolidin-4-one (CID 134284799) is (2E)-2-(2-oxoundecylidene)-5-propan-2-yl-1,3-oxazolidin-4-one.
What is the SMILES notation for (2E)-2-(2-oxoundecylidene)-5-propan-2-yl-1,3-oxazolidin-4-one?
The canonical SMILES for (2E)-2-(2-oxoundecylidene)-5-propan-2-yl-1,3-oxazolidin-4-one is CCCCCCCCCC(=O)/C=C1\NC(=O)C(C(C)C)O1.
What is the InChIKey of (2E)-2-(2-oxoundecylidene)-5-propan-2-yl-1,3-oxazolidin-4-one?
The InChIKey is FVQKAGAGEXLLSE-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-5-6-7-8-9-10-11-14(19)12-15-18-17(20)16(21-15)13(2)3/h12-13,16H,4-11H2,1-3H3,(H,18,20)/b15-12+.
What are the key properties of (2E)-2-(2-oxoundecylidene)-5-propan-2-yl-1,3-oxazolidin-4-one?
(2E)-2-(2-oxoundecylidene)-5-propan-2-yl-1,3-oxazolidin-4-one has a molecular weight of 295.42 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-oxoundecylidene)-5-propan-2-yl-1,3-oxazolidin-4-one is sourced from PubChem (CID 134284799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).