3-hept-6-enoyl-1,3-oxazolidin-2-one

C10H15NO3 — CID 91622577

IUPAC3-hept-6-enoyl-1,3-oxazolidin-2-one
SMILESC=CCCCCC(=O)N1CCOC1=O
InChIInChI=1S/C10H15NO3/c1-2-3-4-5-6-9(12)11-7-8-14-10(11)13/h2H,1,3-8H2
InChIKeyAIOXSBCVUCRNLC-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.71
Rot. Bonds5

About 3-hept-6-enoyl-1,3-oxazolidin-2-one

3-hept-6-enoyl-1,3-oxazolidin-2-one (PubChem CID 91622577) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-hept-6-enoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-hept-6-enoyl-1,3-oxazolidin-2-one
PubChem CID91622577
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-hept-6-enoyl-1,3-oxazolidin-2-one
SMILESC=CCCCCC(=O)N1CCOC1=O
InChIInChI=1S/C10H15NO3/c1-2-3-4-5-6-9(12)11-7-8-14-10(11)13/h2H,1,3-8H2
InChIKeyAIOXSBCVUCRNLC-UHFFFAOYSA-N
XLogP1.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.71
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'}

Analyze 3-hept-6-enoyl-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

(S)-3-Hept-6-enoyl-4-isopropyl-oxazolidin-2-one
CID 11053746
3-Hex-5-enoyl-1,3-oxazolidin-2-one
CID 14972442
3-(3-Methylhex-5-enoyl)-1,3-oxazolidin-2-one
CID 14972443
3-(2-Methylhex-5-enoyl)-1,3-oxazolidin-2-one
CID 14972444
3-(6-Methylhept-6-enoyl)-1,3-oxazolidin-2-one
CID 69202554
3-[(2R)-2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 10857564
3-[(1S)-cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 14907282
3-[2-(2,2-Dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 85291110
3-(2-Methylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 85727474
3-(2-Prop-2-enylhexanoyl)-1,3-oxazolidin-2-one
CID 85931226
3-(2-Methylidenecyclopentanecarbonyl)-1,3-oxazolidin-2-one
CID 102051614
3-(2-Ethylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 102092257

Frequently Asked Questions

What is the IUPAC name of 3-hept-6-enoyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-hept-6-enoyl-1,3-oxazolidin-2-one (CID 91622577) is 3-hept-6-enoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-hept-6-enoyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-hept-6-enoyl-1,3-oxazolidin-2-one is C=CCCCCC(=O)N1CCOC1=O.
What is the InChIKey of 3-hept-6-enoyl-1,3-oxazolidin-2-one?
The InChIKey is AIOXSBCVUCRNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-3-4-5-6-9(12)11-7-8-14-10(11)13/h2H,1,3-8H2.
What are the key properties of 3-hept-6-enoyl-1,3-oxazolidin-2-one?
3-hept-6-enoyl-1,3-oxazolidin-2-one has a molecular weight of 197.23 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-6-enoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 91622577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).