(4S)-3-(6-methylhept-6-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one

C14H23NO3 — CID 18393304

IUPAC(4S)-3-(6-methylhept-6-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C(C)CCCCC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C14H23NO3/c1-10(2)7-5-6-8-13(16)15-12(11(3)4)9-18-14(15)17/h11-12H,1,5-9H2,2-4H3/t12-/m1/s1
InChIKeyCOCZPACCGJGRAU-GFCCVEGCSA-N
MW253.34 g/mol
LogP3.13
Rot. Bonds6

About (4S)-3-(6-methylhept-6-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-(6-methylhept-6-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 18393304) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (4S)-3-(6-methylhept-6-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(6-methylhept-6-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID18393304
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(4S)-3-(6-methylhept-6-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C(C)CCCCC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C14H23NO3/c1-10(2)7-5-6-8-13(16)15-12(11(3)4)9-18-14(15)17/h11-12H,1,5-9H2,2-4H3/t12-/m1/s1
InChIKeyCOCZPACCGJGRAU-GFCCVEGCSA-N
XLogP3.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(6-methylhept-6-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(6-methylhept-6-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 18393304) is (4S)-3-(6-methylhept-6-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(6-methylhept-6-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(6-methylhept-6-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is C=C(C)CCCCC(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-(6-methylhept-6-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is COCZPACCGJGRAU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10(2)7-5-6-8-13(16)15-12(11(3)4)9-18-14(15)17/h11-12H,1,5-9H2,2-4H3/t12-/m1/s1.
What are the key properties of (4S)-3-(6-methylhept-6-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(6-methylhept-6-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 253.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(6-methylhept-6-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 18393304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).