(4S)-3-[(E)-hept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C13H23NO2 — CID 11160463

IUPAC(4S)-3-[(E)-hept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCC/C=C/N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C13H23NO2/c1-4-5-6-7-8-9-14-12(11(2)3)10-16-13(14)15/h8-9,11-12H,4-7,10H2,1-3H3/b9-8+/t12-/m1/s1
InChIKeyCRNSTGKFJIFTFH-IDVQTMNDSA-N
MW225.33 g/mol
LogP3.56
Rot. Bonds6

About (4S)-3-[(E)-hept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(E)-hept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11160463) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (4S)-3-[(E)-hept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(E)-hept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11160463
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(4S)-3-[(E)-hept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCC/C=C/N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C13H23NO2/c1-4-5-6-7-8-9-14-12(11(2)3)10-16-13(14)15/h8-9,11-12H,4-7,10H2,1-3H3/b9-8+/t12-/m1/s1
InChIKeyCRNSTGKFJIFTFH-IDVQTMNDSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-3-[(E)-hept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(E)-hex-1-enyl]-1,3-oxazolidin-2-one
CID 87893205
(4S)-3-[(E)-2-bromohept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11381148
(4S)-3-[(Z)-2-bromohept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11392528
(4S)-3-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 12099415
tert-butyl (4S)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 23631407
3-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one
CID 101182543
(4S)-3-[(E)-1-iodohept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101247329
(4S)-3-hexa-1,2,5-trien-3-yl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101467380
3-[(1Z)-buta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134917855
(4S)-3-[(Z)-1-iodohept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134921146
(4S)-3-(2-cyclohexylideneethenyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135086468
(4S)-3-[(E)-hex-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139253389

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(E)-hept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(E)-hept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11160463) is (4S)-3-[(E)-hept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(E)-hept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(E)-hept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CCCCC/C=C/N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(E)-hept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is CRNSTGKFJIFTFH-IDVQTMNDSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-5-6-7-8-9-14-12(11(2)3)10-16-13(14)15/h8-9,11-12H,4-7,10H2,1-3H3/b9-8+/t12-/m1/s1.
What are the key properties of (4S)-3-[(E)-hept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(E)-hept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 225.33 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(E)-hept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11160463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).