2-butylidene-1,3-oxazolidine

C7H13NO — CID 174846474

IUPAC2-butylidene-1,3-oxazolidine
SMILESCCCC=C1NCCO1
InChIInChI=1S/C7H13NO/c1-2-3-4-7-8-5-6-9-7/h4,8H,2-3,5-6H2,1H3
InChIKeyBORWFKFLACHXJO-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.25
Rot. Bonds2

About 2-butylidene-1,3-oxazolidine

2-butylidene-1,3-oxazolidine (PubChem CID 174846474) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-butylidene-1,3-oxazolidine.

Molecular Properties

Compound Name2-butylidene-1,3-oxazolidine
PubChem CID174846474
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-butylidene-1,3-oxazolidine
SMILESCCCC=C1NCCO1
InChIInChI=1S/C7H13NO/c1-2-3-4-7-8-5-6-9-7/h4,8H,2-3,5-6H2,1H3
InChIKeyBORWFKFLACHXJO-UHFFFAOYSA-N
XLogP1.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butylidene-1,3-oxazolidine?
The IUPAC name of 2-butylidene-1,3-oxazolidine (CID 174846474) is 2-butylidene-1,3-oxazolidine.
What is the SMILES notation for 2-butylidene-1,3-oxazolidine?
The canonical SMILES for 2-butylidene-1,3-oxazolidine is CCCC=C1NCCO1.
What is the InChIKey of 2-butylidene-1,3-oxazolidine?
The InChIKey is BORWFKFLACHXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-3-4-7-8-5-6-9-7/h4,8H,2-3,5-6H2,1H3.
What are the key properties of 2-butylidene-1,3-oxazolidine?
2-butylidene-1,3-oxazolidine has a molecular weight of 127.19 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylidene-1,3-oxazolidine is sourced from PubChem (CID 174846474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).