(3aR,8bS)-1-[(E)-propylideneamino]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one

C13H14N2O2 — CID 11470255

IUPAC(3aR,8bS)-1-[(E)-propylideneamino]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
SMILESCC/C=N/N1C(=O)O[C@@H]2Cc3ccccc3[C@@H]21
InChIInChI=1S/C13H14N2O2/c1-2-7-14-15-12-10-6-4-3-5-9(10)8-11(12)17-13(15)16/h3-7,11-12H,2,8H2,1H3/b14-7+/t11-,12+/m1/s1
InChIKeyHJVDFZOMIFCGFR-INGDVHDHSA-N
MW230.27 g/mol
LogP2.50
Rot. Bonds2

About (3aR,8bS)-1-[(E)-propylideneamino]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one

(3aR,8bS)-1-[(E)-propylideneamino]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one (PubChem CID 11470255) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (3aR,8bS)-1-[(E)-propylideneamino]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one.

Molecular Properties

Compound Name(3aR,8bS)-1-[(E)-propylideneamino]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
PubChem CID11470255
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(3aR,8bS)-1-[(E)-propylideneamino]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
SMILESCC/C=N/N1C(=O)O[C@@H]2Cc3ccccc3[C@@H]21
InChIInChI=1S/C13H14N2O2/c1-2-7-14-15-12-10-6-4-3-5-9(10)8-11(12)17-13(15)16/h3-7,11-12H,2,8H2,1H3/b14-7+/t11-,12+/m1/s1
InChIKeyHJVDFZOMIFCGFR-INGDVHDHSA-N
XLogP2.50
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3aR,8bS)-1-[(E)-propylideneamino]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-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

(3aS-cis)-(-)-3,3a,8,8a-Tetrahydro-2H-indeno[1,2-d]oxazol-2-one
CID 10954036
(3aR-cis)-(+)-3,3a,8,8a-Tetrahydro-2H-indeno[1,2-d]oxazol-2-one
CID 11789720
1,3a,4,8b-Tetrahydroindeno[1,2-d]oxazol-2-one
CID 4377951
3-propionyl-(3aS-cis)-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d]oxazol-2-one
CID 10966336
3-propionyl-(3aR-cis)-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d]oxazol-2-one
CID 15145888
(3aR,8bS)-1-amino-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
CID 11127070
(3aR,8bS)-1-[(E)-1-bromohept-1-enyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
CID 11245023
(3aR,8bS)-1-[[(3R)-2-methylpentan-3-yl]amino]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
CID 11277344
(4S)-4-phenyl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one
CID 11310516
(3aR,8bS)-1-hept-1-ynyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
CID 11380194
(3aR,8bS)-1-[(Z)-1-bromohept-1-enyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
CID 101247330
(3aR,8bS)-1-cyclopropyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
CID 102153160

Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-1-[(E)-propylideneamino]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one?
The IUPAC name of (3aR,8bS)-1-[(E)-propylideneamino]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one (CID 11470255) is (3aR,8bS)-1-[(E)-propylideneamino]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one.
What is the SMILES notation for (3aR,8bS)-1-[(E)-propylideneamino]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one?
The canonical SMILES for (3aR,8bS)-1-[(E)-propylideneamino]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one is CC/C=N/N1C(=O)O[C@@H]2Cc3ccccc3[C@@H]21.
What is the InChIKey of (3aR,8bS)-1-[(E)-propylideneamino]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one?
The InChIKey is HJVDFZOMIFCGFR-INGDVHDHSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-7-14-15-12-10-6-4-3-5-9(10)8-11(12)17-13(15)16/h3-7,11-12H,2,8H2,1H3/b14-7+/t11-,12+/m1/s1.
What are the key properties of (3aR,8bS)-1-[(E)-propylideneamino]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one?
(3aR,8bS)-1-[(E)-propylideneamino]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one has a molecular weight of 230.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-1-[(E)-propylideneamino]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one is sourced from PubChem (CID 11470255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).