2-but-3-enyl-1,3-oxazolidine

C7H13NO — CID 70545553

IUPAC2-but-3-enyl-1,3-oxazolidine
SMILESC=CCCC1NCCO1
InChIInChI=1S/C7H13NO/c1-2-3-4-7-8-5-6-9-7/h2,7-8H,1,3-6H2
InChIKeyZIMXZFOMMRCQNV-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.90
Rot. Bonds3

About 2-but-3-enyl-1,3-oxazolidine

2-but-3-enyl-1,3-oxazolidine (PubChem CID 70545553) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-but-3-enyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-but-3-enyl-1,3-oxazolidine
PubChem CID70545553
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-but-3-enyl-1,3-oxazolidine
SMILESC=CCCC1NCCO1
InChIInChI=1S/C7H13NO/c1-2-3-4-7-8-5-6-9-7/h2,7-8H,1,3-6H2
InChIKeyZIMXZFOMMRCQNV-UHFFFAOYSA-N
XLogP0.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Allyloxazolidin
CID 19744927
3-Pent-4-enoxypyrrolidine
CID 53409327
2-Methyl-2-prop-2-enyl-1,3-oxazolidine
CID 57172775
2,2-Bis(prop-2-enyl)-1,3-oxazolidine
CID 67095191
(3S)-3-pent-4-enoxypyrrolidine
CID 68432199
4-Prop-2-enyl-1,3-oxazolidine
CID 69676956
(3R)-3-pent-4-enoxypyrrolidine
CID 70253325
2-(2-Methylprop-2-enyl)-1,3-oxazolidine
CID 140355787
(4R)-4-prop-2-enyl-1,3-oxazolidine
CID 178070397
3-(4-Pentenyloxy)pyrrolidine hydrochloride
CID 53409326
2,2-Dimethyl-4-prop-2-enyl-1,3-oxazolidine
CID 105428302
4-But-3-enyl-2,2-dimethyl-1,3-oxazolidine
CID 129995489

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-1,3-oxazolidine?
The IUPAC name of 2-but-3-enyl-1,3-oxazolidine (CID 70545553) is 2-but-3-enyl-1,3-oxazolidine.
What is the SMILES notation for 2-but-3-enyl-1,3-oxazolidine?
The canonical SMILES for 2-but-3-enyl-1,3-oxazolidine is C=CCCC1NCCO1.
What is the InChIKey of 2-but-3-enyl-1,3-oxazolidine?
The InChIKey is ZIMXZFOMMRCQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-3-4-7-8-5-6-9-7/h2,7-8H,1,3-6H2.
What are the key properties of 2-but-3-enyl-1,3-oxazolidine?
2-but-3-enyl-1,3-oxazolidine has a molecular weight of 127.19 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-1,3-oxazolidine is sourced from PubChem (CID 70545553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).