methyl carbamate;oxetane;styrene

C13H19NO3 — CID 68829385

IUPACmethyl carbamate;oxetane;styrene
SMILESC1COC1.C=Cc1ccccc1.COC(N)=O
InChIInChI=1S/C8H8.C3H6O.C2H5NO2/c1-2-8-6-4-3-5-7-8;1-2-4-3-1;1-5-2(3)4/h2-7H,1H2;1-3H2;1H3,(H2,3,4)
InChIKeyBWOOODUEADXXAX-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.45
Rot. Bonds1

About methyl carbamate;oxetane;styrene

methyl carbamate;oxetane;styrene (PubChem CID 68829385) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl carbamate;oxetane;styrene.

Molecular Properties

Compound Namemethyl carbamate;oxetane;styrene
PubChem CID68829385
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl carbamate;oxetane;styrene
SMILESC1COC1.C=Cc1ccccc1.COC(N)=O
InChIInChI=1S/C8H8.C3H6O.C2H5NO2/c1-2-8-6-4-3-5-7-8;1-2-4-3-1;1-5-2(3)4/h2-7H,1H2;1-3H2;1H3,(H2,3,4)
InChIKeyBWOOODUEADXXAX-UHFFFAOYSA-N
XLogP2.45
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl carbamate;oxetane;styrene?
The IUPAC name of methyl carbamate;oxetane;styrene (CID 68829385) is methyl carbamate;oxetane;styrene.
What is the SMILES notation for methyl carbamate;oxetane;styrene?
The canonical SMILES for methyl carbamate;oxetane;styrene is C1COC1.C=Cc1ccccc1.COC(N)=O.
What is the InChIKey of methyl carbamate;oxetane;styrene?
The InChIKey is BWOOODUEADXXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C3H6O.C2H5NO2/c1-2-8-6-4-3-5-7-8;1-2-4-3-1;1-5-2(3)4/h2-7H,1H2;1-3H2;1H3,(H2,3,4).
What are the key properties of methyl carbamate;oxetane;styrene?
methyl carbamate;oxetane;styrene has a molecular weight of 237.30 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl carbamate;oxetane;styrene is sourced from PubChem (CID 68829385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).