ethyl carbamate;bis(2-methylprop-1-ene)

C11H23NO2 — CID 159122273

IUPACethyl carbamate;bis(2-methylprop-1-ene)
SMILESC=C(C)C.C=C(C)C.CCOC(N)=O
InChIInChI=1S/2C4H8.C3H7NO2/c2*1-4(2)3;1-2-6-3(4)5/h2*1H2,2-3H3;2H2,1H3,(H2,4,5)
InChIKeyKFVOHFIFCQCLJS-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.27
Rot. Bonds1

About ethyl carbamate;bis(2-methylprop-1-ene)

ethyl carbamate;bis(2-methylprop-1-ene) (PubChem CID 159122273) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl carbamate;bis(2-methylprop-1-ene).

Molecular Properties

Compound Nameethyl carbamate;bis(2-methylprop-1-ene)
PubChem CID159122273
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl carbamate;bis(2-methylprop-1-ene)
SMILESC=C(C)C.C=C(C)C.CCOC(N)=O
InChIInChI=1S/2C4H8.C3H7NO2/c2*1-4(2)3;1-2-6-3(4)5/h2*1H2,2-3H3;2H2,1H3,(H2,4,5)
InChIKeyKFVOHFIFCQCLJS-UHFFFAOYSA-N
XLogP3.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.27
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

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CID 23340289

Frequently Asked Questions

What is the IUPAC name of ethyl carbamate;bis(2-methylprop-1-ene)?
The IUPAC name of ethyl carbamate;bis(2-methylprop-1-ene) (CID 159122273) is ethyl carbamate;bis(2-methylprop-1-ene).
What is the SMILES notation for ethyl carbamate;bis(2-methylprop-1-ene)?
The canonical SMILES for ethyl carbamate;bis(2-methylprop-1-ene) is C=C(C)C.C=C(C)C.CCOC(N)=O.
What is the InChIKey of ethyl carbamate;bis(2-methylprop-1-ene)?
The InChIKey is KFVOHFIFCQCLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8.C3H7NO2/c2*1-4(2)3;1-2-6-3(4)5/h2*1H2,2-3H3;2H2,1H3,(H2,4,5).
What are the key properties of ethyl carbamate;bis(2-methylprop-1-ene)?
ethyl carbamate;bis(2-methylprop-1-ene) has a molecular weight of 201.31 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbamate;bis(2-methylprop-1-ene) is sourced from PubChem (CID 159122273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).