(4S)-4-[(E)-2-cyclopropylethenyl]-2,2-dimethyl-1,3-oxazolidine

C10H17NO — CID 172746832

IUPAC(4S)-4-[(E)-2-cyclopropylethenyl]-2,2-dimethyl-1,3-oxazolidine
SMILESCC1(C)N[C@@H](/C=C/C2CC2)CO1
InChIInChI=1S/C10H17NO/c1-10(2)11-9(7-12-10)6-5-8-3-4-8/h5-6,8-9,11H,3-4,7H2,1-2H3/b6-5+/t9-/m0/s1
InChIKeyJVKRDPAPRRECFL-CYNONHLPSA-N
MW167.25 g/mol
LogP1.68
Rot. Bonds2

About (4S)-4-[(E)-2-cyclopropylethenyl]-2,2-dimethyl-1,3-oxazolidine

(4S)-4-[(E)-2-cyclopropylethenyl]-2,2-dimethyl-1,3-oxazolidine (PubChem CID 172746832) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (4S)-4-[(E)-2-cyclopropylethenyl]-2,2-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-4-[(E)-2-cyclopropylethenyl]-2,2-dimethyl-1,3-oxazolidine
PubChem CID172746832
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(4S)-4-[(E)-2-cyclopropylethenyl]-2,2-dimethyl-1,3-oxazolidine
SMILESCC1(C)N[C@@H](/C=C/C2CC2)CO1
InChIInChI=1S/C10H17NO/c1-10(2)11-9(7-12-10)6-5-8-3-4-8/h5-6,8-9,11H,3-4,7H2,1-2H3/b6-5+/t9-/m0/s1
InChIKeyJVKRDPAPRRECFL-CYNONHLPSA-N
XLogP1.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.68
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

(4S)-2,2-dimethyl-4-[(E)-prop-1-enyl]-1,3-oxazolidine
CID 59984611
(4S,5S)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-2,2,5-trimethyl-1,3-oxazolidine
CID 141836844

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(E)-2-cyclopropylethenyl]-2,2-dimethyl-1,3-oxazolidine?
The IUPAC name of (4S)-4-[(E)-2-cyclopropylethenyl]-2,2-dimethyl-1,3-oxazolidine (CID 172746832) is (4S)-4-[(E)-2-cyclopropylethenyl]-2,2-dimethyl-1,3-oxazolidine.
What is the SMILES notation for (4S)-4-[(E)-2-cyclopropylethenyl]-2,2-dimethyl-1,3-oxazolidine?
The canonical SMILES for (4S)-4-[(E)-2-cyclopropylethenyl]-2,2-dimethyl-1,3-oxazolidine is CC1(C)N[C@@H](/C=C/C2CC2)CO1.
What is the InChIKey of (4S)-4-[(E)-2-cyclopropylethenyl]-2,2-dimethyl-1,3-oxazolidine?
The InChIKey is JVKRDPAPRRECFL-CYNONHLPSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2)11-9(7-12-10)6-5-8-3-4-8/h5-6,8-9,11H,3-4,7H2,1-2H3/b6-5+/t9-/m0/s1.
What are the key properties of (4S)-4-[(E)-2-cyclopropylethenyl]-2,2-dimethyl-1,3-oxazolidine?
(4S)-4-[(E)-2-cyclopropylethenyl]-2,2-dimethyl-1,3-oxazolidine has a molecular weight of 167.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(E)-2-cyclopropylethenyl]-2,2-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 172746832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).