2-pentylidene-1,3-oxazolidine

C8H15NO — CID 174633347

IUPAC2-pentylidene-1,3-oxazolidine
SMILESCCCCC=C1NCCO1
InChIInChI=1S/C8H15NO/c1-2-3-4-5-8-9-6-7-10-8/h5,9H,2-4,6-7H2,1H3
InChIKeyLNWFZNSDXQNNOU-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.64
Rot. Bonds3

About 2-pentylidene-1,3-oxazolidine

2-pentylidene-1,3-oxazolidine (PubChem CID 174633347) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-pentylidene-1,3-oxazolidine.

Molecular Properties

Compound Name2-pentylidene-1,3-oxazolidine
PubChem CID174633347
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-pentylidene-1,3-oxazolidine
SMILESCCCCC=C1NCCO1
InChIInChI=1S/C8H15NO/c1-2-3-4-5-8-9-6-7-10-8/h5,9H,2-4,6-7H2,1H3
InChIKeyLNWFZNSDXQNNOU-UHFFFAOYSA-N
XLogP1.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropylidene)-1,3-oxazolidine
CID 174399163
(2E)-2-pentylidene-1,3-thiazolidine
CID 141222021
2-pentylidenethiomorpholin-3-one
CID 67763937
(3Z)-3-decylideneoxolan-2-one
CID 13315995
1,2-di(pentylidene)cyclohexane
CID 11356709
1,3-oxazolidin-2-one;propan-1-ol
CID 144673356
4-hexylidenepiperidine;hydrochloride
CID 18963728
2-(pyrrolidin-1-ylmethylidene)-1,3-oxazolidine
CID 174864326
pent-1-ene;pentylidenecyclopropane
CID 173050436
pentylidenecyclopentadecane
CID 151655236
3-pentylidenepiperazine-2,5-dione
CID 53405957
hex-1-ene;zirconium(4+);dichloride
CID 157382882

Frequently Asked Questions

What is the IUPAC name of 2-pentylidene-1,3-oxazolidine?
The IUPAC name of 2-pentylidene-1,3-oxazolidine (CID 174633347) is 2-pentylidene-1,3-oxazolidine.
What is the SMILES notation for 2-pentylidene-1,3-oxazolidine?
The canonical SMILES for 2-pentylidene-1,3-oxazolidine is CCCCC=C1NCCO1.
What is the InChIKey of 2-pentylidene-1,3-oxazolidine?
The InChIKey is LNWFZNSDXQNNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-4-5-8-9-6-7-10-8/h5,9H,2-4,6-7H2,1H3.
What are the key properties of 2-pentylidene-1,3-oxazolidine?
2-pentylidene-1,3-oxazolidine has a molecular weight of 141.21 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylidene-1,3-oxazolidine is sourced from PubChem (CID 174633347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).