ethyl N-(cyclohepta-2,4,6-trien-1-ylmethyl)carbamate

C11H15NO2 — CID 165351766

IUPACethyl N-(cyclohepta-2,4,6-trien-1-ylmethyl)carbamate
SMILESCCOC(=O)NCC1C=CC=CC=C1
InChIInChI=1S/C11H15NO2/c1-2-14-11(13)12-9-10-7-5-3-4-6-8-10/h3-8,10H,2,9H2,1H3,(H,12,13)
InChIKeyLZPGCXYLNXBGJJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.03
Rot. Bonds3

About ethyl N-(cyclohepta-2,4,6-trien-1-ylmethyl)carbamate

ethyl N-(cyclohepta-2,4,6-trien-1-ylmethyl)carbamate (PubChem CID 165351766) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethyl N-(cyclohepta-2,4,6-trien-1-ylmethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(cyclohepta-2,4,6-trien-1-ylmethyl)carbamate
PubChem CID165351766
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethyl N-(cyclohepta-2,4,6-trien-1-ylmethyl)carbamate
SMILESCCOC(=O)NCC1C=CC=CC=C1
InChIInChI=1S/C11H15NO2/c1-2-14-11(13)12-9-10-7-5-3-4-6-8-10/h3-8,10H,2,9H2,1H3,(H,12,13)
InChIKeyLZPGCXYLNXBGJJ-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[(E)-pent-2-enyl]carbamate
CID 14967598
tert-butyl N-(4-ethenylhexa-3,5-dienyl)carbamate
CID 134857643
2-fluoroethyl N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]carbamate
CID 143184533
ethyl N-[(3E,5E)-3-methyl-5-(trifluoromethyl)octa-3,5,7-trienyl]carbamate
CID 144345667
ethyl N-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)carbamate
CID 163684566
tert-butyl N-[(2E)-6-methylhepta-2,4-dienyl]carbamate
CID 135038852
propan-2-yl N-cyclohepta-2,4,6-trien-1-ylcarbamate
CID 283681
tert-butyl N-[(2R,3E,5E)-6-iodo-2-methylhexa-3,5-dienyl]carbamate
CID 121003776
butyl N-(4-methylpent-3-enyl)carbamate
CID 20461684
sodium ethyl N-(2-phenylethyl)carbamate
CID 20566463
ethyl N-[(4-chlorocyclohexa-2,4-dien-1-yl)methyl]carbamate
CID 20827744
ethyl N-[(4E)-4-methylhepta-4,6-dien-3-yl]carbamate
CID 21034841

Frequently Asked Questions

What is the IUPAC name of ethyl N-(cyclohepta-2,4,6-trien-1-ylmethyl)carbamate?
The IUPAC name of ethyl N-(cyclohepta-2,4,6-trien-1-ylmethyl)carbamate (CID 165351766) is ethyl N-(cyclohepta-2,4,6-trien-1-ylmethyl)carbamate.
What is the SMILES notation for ethyl N-(cyclohepta-2,4,6-trien-1-ylmethyl)carbamate?
The canonical SMILES for ethyl N-(cyclohepta-2,4,6-trien-1-ylmethyl)carbamate is CCOC(=O)NCC1C=CC=CC=C1.
What is the InChIKey of ethyl N-(cyclohepta-2,4,6-trien-1-ylmethyl)carbamate?
The InChIKey is LZPGCXYLNXBGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-14-11(13)12-9-10-7-5-3-4-6-8-10/h3-8,10H,2,9H2,1H3,(H,12,13).
What are the key properties of ethyl N-(cyclohepta-2,4,6-trien-1-ylmethyl)carbamate?
ethyl N-(cyclohepta-2,4,6-trien-1-ylmethyl)carbamate has a molecular weight of 193.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(cyclohepta-2,4,6-trien-1-ylmethyl)carbamate is sourced from PubChem (CID 165351766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).