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

C14H23NO3 — CID 11032399

IUPAC(4S)-3-[(2S)-2-methylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CCCC[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C14H23NO3/c1-5-6-7-8-11(4)13(16)15-12(10(2)3)9-18-14(15)17/h5,10-12H,1,6-9H2,2-4H3/t11-,12+/m0/s1
InChIKeyUZNWAWOCWKWQKF-NWDGAFQWSA-N
MW253.34 g/mol
LogP2.98
Rot. Bonds6

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

(4S)-3-[(2S)-2-methylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11032399) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (4S)-3-[(2S)-2-methylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S)-2-methylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11032399
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(4S)-3-[(2S)-2-methylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CCCC[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C14H23NO3/c1-5-6-7-8-11(4)13(16)15-12(10(2)3)9-18-14(15)17/h5,10-12H,1,6-9H2,2-4H3/t11-,12+/m0/s1
InChIKeyUZNWAWOCWKWQKF-NWDGAFQWSA-N
XLogP2.98
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 ≤ 52.98
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-[(2S)-2-methylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S)-2-methylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11032399) is (4S)-3-[(2S)-2-methylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S)-2-methylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S)-2-methylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is C=CCCC[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(2S)-2-methylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is UZNWAWOCWKWQKF-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-6-7-8-11(4)13(16)15-12(10(2)3)9-18-14(15)17/h5,10-12H,1,6-9H2,2-4H3/t11-,12+/m0/s1.
What are the key properties of (4S)-3-[(2S)-2-methylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2S)-2-methylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 253.34 g/mol, XLogP of 2.98, 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-methylhept-6-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11032399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).