(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxynon-2-enyl]-1,3-oxazolidin-2-one

C18H29NO4 — CID 57395586

IUPAC(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxynon-2-enyl]-1,3-oxazolidin-2-one
SMILESCCCCCC/C=C/[C@@H](O)[C@@H]1COC(=O)N1C(=O)C1CCCC1
InChIInChI=1S/C18H29NO4/c1-2-3-4-5-6-7-12-16(20)15-13-23-18(22)19(15)17(21)14-10-8-9-11-14/h7,12,14-16,20H,2-6,8-11,13H2,1H3/b12-7+/t15-,16+/m0/s1
InChIKeyQIYUCCOIGVJUCZ-GNAVJYDXSA-N
MW323.43 g/mol
LogP3.41
Rot. Bonds8

About (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxynon-2-enyl]-1,3-oxazolidin-2-one

(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxynon-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 57395586) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxynon-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxynon-2-enyl]-1,3-oxazolidin-2-one
PubChem CID57395586
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxynon-2-enyl]-1,3-oxazolidin-2-one
SMILESCCCCCC/C=C/[C@@H](O)[C@@H]1COC(=O)N1C(=O)C1CCCC1
InChIInChI=1S/C18H29NO4/c1-2-3-4-5-6-7-12-16(20)15-13-23-18(22)19(15)17(21)14-10-8-9-11-14/h7,12,14-16,20H,2-6,8-11,13H2,1H3/b12-7+/t15-,16+/m0/s1
InChIKeyQIYUCCOIGVJUCZ-GNAVJYDXSA-N
XLogP3.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxynon-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxynon-2-enyl]-1,3-oxazolidin-2-one (CID 57395586) is (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxynon-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxynon-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxynon-2-enyl]-1,3-oxazolidin-2-one is CCCCCC/C=C/[C@@H](O)[C@@H]1COC(=O)N1C(=O)C1CCCC1.
What is the InChIKey of (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxynon-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is QIYUCCOIGVJUCZ-GNAVJYDXSA-N. The full InChI is InChI=1S/C18H29NO4/c1-2-3-4-5-6-7-12-16(20)15-13-23-18(22)19(15)17(21)14-10-8-9-11-14/h7,12,14-16,20H,2-6,8-11,13H2,1H3/b12-7+/t15-,16+/m0/s1.
What are the key properties of (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxynon-2-enyl]-1,3-oxazolidin-2-one?
(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxynon-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 323.43 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxynon-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 57395586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).