(1E)-1-[(5S)-5-butyl-4-methylidene-1,3-oxazolidin-2-ylidene]undecan-2-one

C19H33NO2 — CID 134302310

IUPAC(1E)-1-[(5S)-5-butyl-4-methylidene-1,3-oxazolidin-2-ylidene]undecan-2-one
SMILESC=C1N/C(=C\C(=O)CCCCCCCCC)O[C@H]1CCCC
InChIInChI=1S/C19H33NO2/c1-4-6-8-9-10-11-12-13-17(21)15-19-20-16(3)18(22-19)14-7-5-2/h15,18,20H,3-14H2,1-2H3/b19-15+/t18-/m0/s1
InChIKeyZJLCKPOLLZWFNF-CMAIMYMYSA-N
MW307.48 g/mol
LogP5.23
Rot. Bonds12

About (1E)-1-[(5S)-5-butyl-4-methylidene-1,3-oxazolidin-2-ylidene]undecan-2-one

(1E)-1-[(5S)-5-butyl-4-methylidene-1,3-oxazolidin-2-ylidene]undecan-2-one (PubChem CID 134302310) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is (1E)-1-[(5S)-5-butyl-4-methylidene-1,3-oxazolidin-2-ylidene]undecan-2-one.

Molecular Properties

Compound Name(1E)-1-[(5S)-5-butyl-4-methylidene-1,3-oxazolidin-2-ylidene]undecan-2-one
PubChem CID134302310
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name(1E)-1-[(5S)-5-butyl-4-methylidene-1,3-oxazolidin-2-ylidene]undecan-2-one
SMILESC=C1N/C(=C\C(=O)CCCCCCCCC)O[C@H]1CCCC
InChIInChI=1S/C19H33NO2/c1-4-6-8-9-10-11-12-13-17(21)15-19-20-16(3)18(22-19)14-7-5-2/h15,18,20H,3-14H2,1-2H3/b19-15+/t18-/m0/s1
InChIKeyZJLCKPOLLZWFNF-CMAIMYMYSA-N
XLogP5.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 55.23
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

(2E)-2-(2-oxoundecylidene)-5-propan-2-yl-1,3-oxazolidin-4-one
CID 134284799
(1Z)-1-(4,4,6-trimethyl-1,3-oxazinan-2-ylidene)pentan-2-one
CID 121001587
4-(2-oxononadecylidene)oxetan-2-one
CID 54325659
tritriacont-1-en-3-one
CID 153436316
nonadec-1-en-3-one
CID 3326465
4-hexyl-5-methylidene-1,3-dioxolane-2-carbaldehyde
CID 174828507
1-cyclohexylidenetetradecan-2-one
CID 103457909
N-ethenyldodecanamide
CID 21219286
(7E,9E)-henicosa-7,9-diene-6,11-dione
CID 56936226
N-iodooctanamide
CID 19040107
(E)-1-hydroxynonadec-2-en-4-one
CID 6366716
N',N'-diethylhexadecanehydrazide
CID 141450549

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(5S)-5-butyl-4-methylidene-1,3-oxazolidin-2-ylidene]undecan-2-one?
The IUPAC name of (1E)-1-[(5S)-5-butyl-4-methylidene-1,3-oxazolidin-2-ylidene]undecan-2-one (CID 134302310) is (1E)-1-[(5S)-5-butyl-4-methylidene-1,3-oxazolidin-2-ylidene]undecan-2-one.
What is the SMILES notation for (1E)-1-[(5S)-5-butyl-4-methylidene-1,3-oxazolidin-2-ylidene]undecan-2-one?
The canonical SMILES for (1E)-1-[(5S)-5-butyl-4-methylidene-1,3-oxazolidin-2-ylidene]undecan-2-one is C=C1N/C(=C\C(=O)CCCCCCCCC)O[C@H]1CCCC.
What is the InChIKey of (1E)-1-[(5S)-5-butyl-4-methylidene-1,3-oxazolidin-2-ylidene]undecan-2-one?
The InChIKey is ZJLCKPOLLZWFNF-CMAIMYMYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-4-6-8-9-10-11-12-13-17(21)15-19-20-16(3)18(22-19)14-7-5-2/h15,18,20H,3-14H2,1-2H3/b19-15+/t18-/m0/s1.
What are the key properties of (1E)-1-[(5S)-5-butyl-4-methylidene-1,3-oxazolidin-2-ylidene]undecan-2-one?
(1E)-1-[(5S)-5-butyl-4-methylidene-1,3-oxazolidin-2-ylidene]undecan-2-one has a molecular weight of 307.48 g/mol, XLogP of 5.23, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(5S)-5-butyl-4-methylidene-1,3-oxazolidin-2-ylidene]undecan-2-one is sourced from PubChem (CID 134302310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).