ethane;prop-2-enyl N-ethyl-N-methylcarbamate

C9H19NO2 — CID 142891984

IUPACethane;prop-2-enyl N-ethyl-N-methylcarbamate
SMILESC=CCOC(=O)N(C)CC.CC
InChIInChI=1S/C7H13NO2.C2H6/c1-4-6-10-7(9)8(3)5-2;1-2/h4H,1,5-6H2,2-3H3;1-2H3
InChIKeyFHZKFPMJLVGTCK-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.29
Rot. Bonds3

About ethane;prop-2-enyl N-ethyl-N-methylcarbamate

ethane;prop-2-enyl N-ethyl-N-methylcarbamate (PubChem CID 142891984) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethane;prop-2-enyl N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Nameethane;prop-2-enyl N-ethyl-N-methylcarbamate
PubChem CID142891984
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethane;prop-2-enyl N-ethyl-N-methylcarbamate
SMILESC=CCOC(=O)N(C)CC.CC
InChIInChI=1S/C7H13NO2.C2H6/c1-4-6-10-7(9)8(3)5-2;1-2/h4H,1,5-6H2,2-3H3;1-2H3
InChIKeyFHZKFPMJLVGTCK-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxoethyl N-ethyl-N-methylcarbamate
CID 174878771
prop-2-enyl N-(5-hydroxypentyl)-N-methylcarbamate
CID 107202841
2,2-dimethyl-3-[methyl(prop-2-enoxycarbonyl)amino]propanoic acid
CID 164953178
2,2-dimethyl-3-[methyl(prop-2-enoxycarbonyl)amino]propanoic acid;sulfane
CID 159516913
prop-2-enyl N-methyl-N-(oxiran-2-ylmethyl)carbamate
CID 59768322
2,2-dimethyl-4-[methyl(prop-2-enoxycarbonyl)amino]butanoic acid
CID 167656889
2-[ethyl(methyl)carbamoyl]oxyacetic acid
CID 142231802
2-aminoethyl N-ethyl-N-methylcarbamate
CID 58684517
ethane;N-ethyl-N-methylbut-3-enamide
CID 142224309
N-ethyl-N-methylbut-3-enamide
CID 23466641
iron;prop-2-enyl N,N-bis(sulfanyl)carbamate
CID 87288667
prop-2-enyl N,N-bis(hydroxymethyl)carbamate
CID 54415471

Frequently Asked Questions

What is the IUPAC name of ethane;prop-2-enyl N-ethyl-N-methylcarbamate?
The IUPAC name of ethane;prop-2-enyl N-ethyl-N-methylcarbamate (CID 142891984) is ethane;prop-2-enyl N-ethyl-N-methylcarbamate.
What is the SMILES notation for ethane;prop-2-enyl N-ethyl-N-methylcarbamate?
The canonical SMILES for ethane;prop-2-enyl N-ethyl-N-methylcarbamate is C=CCOC(=O)N(C)CC.CC.
What is the InChIKey of ethane;prop-2-enyl N-ethyl-N-methylcarbamate?
The InChIKey is FHZKFPMJLVGTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2H6/c1-4-6-10-7(9)8(3)5-2;1-2/h4H,1,5-6H2,2-3H3;1-2H3.
What are the key properties of ethane;prop-2-enyl N-ethyl-N-methylcarbamate?
ethane;prop-2-enyl N-ethyl-N-methylcarbamate has a molecular weight of 173.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;prop-2-enyl N-ethyl-N-methylcarbamate is sourced from PubChem (CID 142891984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).