ethyl N-hex-5-enyl-N-prop-1-en-2-ylcarbamate

C12H21NO2 — CID 101149478

IUPACethyl N-hex-5-enyl-N-prop-1-en-2-ylcarbamate
SMILESC=CCCCCN(C(=C)C)C(=O)OCC
InChIInChI=1S/C12H21NO2/c1-5-7-8-9-10-13(11(3)4)12(14)15-6-2/h5H,1,3,6-10H2,2,4H3
InChIKeyFFTRGZBCLKXQFB-UHFFFAOYSA-N
MW211.30 g/mol
LogP3.33
Rot. Bonds7

About ethyl N-hex-5-enyl-N-prop-1-en-2-ylcarbamate

ethyl N-hex-5-enyl-N-prop-1-en-2-ylcarbamate (PubChem CID 101149478) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl N-hex-5-enyl-N-prop-1-en-2-ylcarbamate.

Molecular Properties

Compound Nameethyl N-hex-5-enyl-N-prop-1-en-2-ylcarbamate
PubChem CID101149478
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl N-hex-5-enyl-N-prop-1-en-2-ylcarbamate
SMILESC=CCCCCN(C(=C)C)C(=O)OCC
InChIInChI=1S/C12H21NO2/c1-5-7-8-9-10-13(11(3)4)12(14)15-6-2/h5H,1,3,6-10H2,2,4H3
InChIKeyFFTRGZBCLKXQFB-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-[acetyl(hex-5-enyl)amino]propanedioate
CID 71417691
deca-1,9-diene;ethyl carbamate
CID 158614970
ethyl hept-6-enoate
CID 560341
ethyl hex-5-enyl carbonate
CID 45140691
ethyl N-propanoyl-N-prop-2-enylcarbamate
CID 19738530
ethyl (2Z)-deca-2,9-dienoate
CID 141142906
ethyl N-fluoro-N-prop-2-enylcarbamate
CID 88867877
hex-5-enyl acetate
CID 537536
ethyl 2-(hex-5-enylamino)acetate
CID 10867857
ethyl 2-ethyloct-7-enoate
CID 175101308
nonadec-18-enyl acetate
CID 87443633
pentadec-14-enyl acetate
CID 87443745

Frequently Asked Questions

What is the IUPAC name of ethyl N-hex-5-enyl-N-prop-1-en-2-ylcarbamate?
The IUPAC name of ethyl N-hex-5-enyl-N-prop-1-en-2-ylcarbamate (CID 101149478) is ethyl N-hex-5-enyl-N-prop-1-en-2-ylcarbamate.
What is the SMILES notation for ethyl N-hex-5-enyl-N-prop-1-en-2-ylcarbamate?
The canonical SMILES for ethyl N-hex-5-enyl-N-prop-1-en-2-ylcarbamate is C=CCCCCN(C(=C)C)C(=O)OCC.
What is the InChIKey of ethyl N-hex-5-enyl-N-prop-1-en-2-ylcarbamate?
The InChIKey is FFTRGZBCLKXQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-7-8-9-10-13(11(3)4)12(14)15-6-2/h5H,1,3,6-10H2,2,4H3.
What are the key properties of ethyl N-hex-5-enyl-N-prop-1-en-2-ylcarbamate?
ethyl N-hex-5-enyl-N-prop-1-en-2-ylcarbamate has a molecular weight of 211.30 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-hex-5-enyl-N-prop-1-en-2-ylcarbamate is sourced from PubChem (CID 101149478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).