2-methyl-4-prop-1-en-2-yl-1,3-oxazolidine

C7H13NO — CID 163479643

IUPAC2-methyl-4-prop-1-en-2-yl-1,3-oxazolidine
SMILESC=C(C)C1COC(C)N1
InChIInChI=1S/C7H13NO/c1-5(2)7-4-9-6(3)8-7/h6-8H,1,4H2,2-3H3
InChIKeyCDKPWLYDUPFKJI-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.90
Rot. Bonds1

About 2-methyl-4-prop-1-en-2-yl-1,3-oxazolidine

2-methyl-4-prop-1-en-2-yl-1,3-oxazolidine (PubChem CID 163479643) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methyl-4-prop-1-en-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name2-methyl-4-prop-1-en-2-yl-1,3-oxazolidine
PubChem CID163479643
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methyl-4-prop-1-en-2-yl-1,3-oxazolidine
SMILESC=C(C)C1COC(C)N1
InChIInChI=1S/C7H13NO/c1-5(2)7-4-9-6(3)8-7/h6-8H,1,4H2,2-3H3
InChIKeyCDKPWLYDUPFKJI-UHFFFAOYSA-N
XLogP0.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

4-Methyl-2-prop-1-en-2-yl-1,3-oxazolidine
CID 68827199
4-Ethyl-2-prop-1-en-2-yl-1,3-oxazolidine
CID 68827316
N-(2-methylidenebutyl)oxolan-3-amine
CID 80712888
2,2-Dimethyl-4-vinyl-oxazolidine
CID 89311339
(R)-2,2-dimethyl-4-vinyloxazolidine
CID 89372239
2,2-Dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine
CID 123617138
(4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine
CID 124583499
2-(2-Methylprop-2-enyl)-1,3-oxazolidine
CID 140355787
(4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidine
CID 141075303
(4R)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine
CID 144558600
(2S)-1-methoxy-N,3-dimethylbut-3-en-2-amine
CID 152953520
1-methoxy-N,3-dimethylbut-3-en-2-amine
CID 79177935

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-prop-1-en-2-yl-1,3-oxazolidine?
The IUPAC name of 2-methyl-4-prop-1-en-2-yl-1,3-oxazolidine (CID 163479643) is 2-methyl-4-prop-1-en-2-yl-1,3-oxazolidine.
What is the SMILES notation for 2-methyl-4-prop-1-en-2-yl-1,3-oxazolidine?
The canonical SMILES for 2-methyl-4-prop-1-en-2-yl-1,3-oxazolidine is C=C(C)C1COC(C)N1.
What is the InChIKey of 2-methyl-4-prop-1-en-2-yl-1,3-oxazolidine?
The InChIKey is CDKPWLYDUPFKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)7-4-9-6(3)8-7/h6-8H,1,4H2,2-3H3.
What are the key properties of 2-methyl-4-prop-1-en-2-yl-1,3-oxazolidine?
2-methyl-4-prop-1-en-2-yl-1,3-oxazolidine has a molecular weight of 127.19 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-prop-1-en-2-yl-1,3-oxazolidine is sourced from PubChem (CID 163479643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).