3-[(1S,4R)-3-pentylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one

C16H23NO3 — CID 10755013

IUPAC3-[(1S,4R)-3-pentylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
SMILESCCCCCC1C(C(=O)N2CCOC2=O)[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C16H23NO3/c1-2-3-4-5-13-11-6-7-12(10-11)14(13)15(18)17-8-9-20-16(17)19/h6-7,11-14H,2-5,8-10H2,1H3/t11-,12+,13?,14?/m0/s1
InChIKeyZNAZZLOOLBLTPA-MRFVTOPCSA-N
MW277.36 g/mol
LogP2.98
Rot. Bonds5

About 3-[(1S,4R)-3-pentylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one

3-[(1S,4R)-3-pentylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 10755013) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[(1S,4R)-3-pentylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1S,4R)-3-pentylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
PubChem CID10755013
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[(1S,4R)-3-pentylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
SMILESCCCCCC1C(C(=O)N2CCOC2=O)[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C16H23NO3/c1-2-3-4-5-13-11-6-7-12(10-11)14(13)15(18)17-8-9-20-16(17)19/h6-7,11-14H,2-5,8-10H2,1H3/t11-,12+,13?,14?/m0/s1
InChIKeyZNAZZLOOLBLTPA-MRFVTOPCSA-N
XLogP2.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
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'}

Analyze 3-[(1S,4R)-3-pentylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
CID 51346284
3-heptyl-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 19027903
6-(3-propanoyl-2-bicyclo[2.2.1]hept-5-enyl)hexan-2-one
CID 59748332
5-butyl-4-pentyltricyclo[5.2.1.02,6]dec-8-en-3-one
CID 142663931
3-octadecyl-1,3-oxazolidin-2-one
CID 59720965
3-octyl-1,3-oxazolidin-2-one
CID 3565999
1-(2-oxo-1,3-oxazolidin-3-yl)hexane-1,3-dione
CID 25146758
3-(4-carboxybutyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 59748021
3-[(1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-propylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 177499738
3-(5-methylundeca-3,4-dienoyl)-1,3-oxazolidin-2-one
CID 102288208
3-(3-pentylcyclohexyl)-1,3-oxazolidin-2-one
CID 123312305
3-[(1R,2S)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 101221348

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,4R)-3-pentylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1S,4R)-3-pentylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one (CID 10755013) is 3-[(1S,4R)-3-pentylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1S,4R)-3-pentylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1S,4R)-3-pentylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one is CCCCCC1C(C(=O)N2CCOC2=O)[C@@H]2C=C[C@H]1C2.
What is the InChIKey of 3-[(1S,4R)-3-pentylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is ZNAZZLOOLBLTPA-MRFVTOPCSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-3-4-5-13-11-6-7-12(10-11)14(13)15(18)17-8-9-20-16(17)19/h6-7,11-14H,2-5,8-10H2,1H3/t11-,12+,13?,14?/m0/s1.
What are the key properties of 3-[(1S,4R)-3-pentylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one?
3-[(1S,4R)-3-pentylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 277.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,4R)-3-pentylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10755013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).