5-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-1,3-oxazolidine

C11H21NO — CID 123857047

IUPAC5-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-1,3-oxazolidine
SMILESCCC1(CC2CNC(C)(C)O2)CC1
InChIInChI=1S/C11H21NO/c1-4-11(5-6-11)7-9-8-12-10(2,3)13-9/h9,12H,4-8H2,1-3H3
InChIKeyBRSCCIKDCOIXNV-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.29
Rot. Bonds3

About 5-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-1,3-oxazolidine

5-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-1,3-oxazolidine (PubChem CID 123857047) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 5-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name5-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-1,3-oxazolidine
PubChem CID123857047
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name5-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-1,3-oxazolidine
SMILESCCC1(CC2CNC(C)(C)O2)CC1
InChIInChI=1S/C11H21NO/c1-4-11(5-6-11)7-9-8-12-10(2,3)13-9/h9,12H,4-8H2,1-3H3
InChIKeyBRSCCIKDCOIXNV-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-1,3-oxazolidine?
The IUPAC name of 5-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-1,3-oxazolidine (CID 123857047) is 5-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 5-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-1,3-oxazolidine?
The canonical SMILES for 5-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-1,3-oxazolidine is CCC1(CC2CNC(C)(C)O2)CC1.
What is the InChIKey of 5-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-1,3-oxazolidine?
The InChIKey is BRSCCIKDCOIXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-11(5-6-11)7-9-8-12-10(2,3)13-9/h9,12H,4-8H2,1-3H3.
What are the key properties of 5-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-1,3-oxazolidine?
5-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-1,3-oxazolidine has a molecular weight of 183.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 123857047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).