(4S)-3-[(2S)-2,6-dimethylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C15H25NO3 — CID 11010979

IUPAC(4S)-3-[(2S)-2,6-dimethylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C(C)CCC[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C15H25NO3/c1-10(2)7-6-8-12(5)14(17)16-13(11(3)4)9-19-15(16)18/h11-13H,1,6-9H2,2-5H3/t12-,13+/m0/s1
InChIKeyMJGDRDVZQJGWRC-QWHCGFSZSA-N
MW267.37 g/mol
LogP3.37
Rot. Bonds6

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

(4S)-3-[(2S)-2,6-dimethylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11010979) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (4S)-3-[(2S)-2,6-dimethylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S)-2,6-dimethylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11010979
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(4S)-3-[(2S)-2,6-dimethylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C(C)CCC[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C15H25NO3/c1-10(2)7-6-8-12(5)14(17)16-13(11(3)4)9-19-15(16)18/h11-13H,1,6-9H2,2-5H3/t12-,13+/m0/s1
InChIKeyMJGDRDVZQJGWRC-QWHCGFSZSA-N
XLogP3.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S)-2,6-dimethylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S)-2,6-dimethylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11010979) is (4S)-3-[(2S)-2,6-dimethylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S)-2,6-dimethylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S)-2,6-dimethylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is C=C(C)CCC[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(2S)-2,6-dimethylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is MJGDRDVZQJGWRC-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10(2)7-6-8-12(5)14(17)16-13(11(3)4)9-19-15(16)18/h11-13H,1,6-9H2,2-5H3/t12-,13+/m0/s1.
What are the key properties of (4S)-3-[(2S)-2,6-dimethylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2S)-2,6-dimethylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 267.37 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S)-2,6-dimethylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11010979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).