2-methyl-2-prop-2-enyl-1,3-oxazolidine

C7H13NO — CID 57172775

IUPAC2-methyl-2-prop-2-enyl-1,3-oxazolidine
SMILESC=CCC1(C)NCCO1
InChIInChI=1S/C7H13NO/c1-3-4-7(2)8-5-6-9-7/h3,8H,1,4-6H2,2H3
InChIKeyHDPDHLRZUNQPTP-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.90
Rot. Bonds2

About 2-methyl-2-prop-2-enyl-1,3-oxazolidine

2-methyl-2-prop-2-enyl-1,3-oxazolidine (PubChem CID 57172775) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methyl-2-prop-2-enyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-methyl-2-prop-2-enyl-1,3-oxazolidine
PubChem CID57172775
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methyl-2-prop-2-enyl-1,3-oxazolidine
SMILESC=CCC1(C)NCCO1
InChIInChI=1S/C7H13NO/c1-3-4-7(2)8-5-6-9-7/h3,8H,1,4-6H2,2H3
InChIKeyHDPDHLRZUNQPTP-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-2-prop-2-enyl-1,3-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-prop-2-enyl-1,3-oxazolidine?
The IUPAC name of 2-methyl-2-prop-2-enyl-1,3-oxazolidine (CID 57172775) is 2-methyl-2-prop-2-enyl-1,3-oxazolidine.
What is the SMILES notation for 2-methyl-2-prop-2-enyl-1,3-oxazolidine?
The canonical SMILES for 2-methyl-2-prop-2-enyl-1,3-oxazolidine is C=CCC1(C)NCCO1.
What is the InChIKey of 2-methyl-2-prop-2-enyl-1,3-oxazolidine?
The InChIKey is HDPDHLRZUNQPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-4-7(2)8-5-6-9-7/h3,8H,1,4-6H2,2H3.
What are the key properties of 2-methyl-2-prop-2-enyl-1,3-oxazolidine?
2-methyl-2-prop-2-enyl-1,3-oxazolidine has a molecular weight of 127.19 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-2-enyl-1,3-oxazolidine is sourced from PubChem (CID 57172775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).