cyclohepta-1,4,6-trien-1-ylmethyl N-cyclohexylcarbamate

C15H21NO2 — CID 143007968

IUPACcyclohepta-1,4,6-trien-1-ylmethyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCC1=CCC=CC=C1
InChIInChI=1S/C15H21NO2/c17-15(16-14-10-6-3-7-11-14)18-12-13-8-4-1-2-5-9-13/h1-2,4,8-9,14H,3,5-7,10-12H2,(H,16,17)
InChIKeyGOSILEYZPIQICH-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.49
Rot. Bonds3

About cyclohepta-1,4,6-trien-1-ylmethyl N-cyclohexylcarbamate

cyclohepta-1,4,6-trien-1-ylmethyl N-cyclohexylcarbamate (PubChem CID 143007968) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is cyclohepta-1,4,6-trien-1-ylmethyl N-cyclohexylcarbamate.

Molecular Properties

Compound Namecyclohepta-1,4,6-trien-1-ylmethyl N-cyclohexylcarbamate
PubChem CID143007968
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namecyclohepta-1,4,6-trien-1-ylmethyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCC1=CCC=CC=C1
InChIInChI=1S/C15H21NO2/c17-15(16-14-10-6-3-7-11-14)18-12-13-8-4-1-2-5-9-13/h1-2,4,8-9,14H,3,5-7,10-12H2,(H,16,17)
InChIKeyGOSILEYZPIQICH-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopenta-1,4-dien-1-ylmethyl N-methylcarbamate
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CID 143473828
2-aminoethyl N-cyclohexylcarbamate;molecular hydrogen
CID 159671742
2-bromoethyl N-cyclohexylcarbamate
CID 112683003
prop-2-enyl N-cyclohexylcarbamate
CID 11126927
(4-nitrophenyl)methyl N-cyclopentylcarbamate
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2-[4-(phenylmethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 66566868
3-(cyclohexylcarbamoyloxy)propane-1-sulfonic acid
CID 118371123
methyl N-cyclohexadecylcarbamate
CID 131977131
benzyl N-[1-(dimethylaminosulfanyl)piperidin-4-yl]carbamate
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3-methylbutyl N-cyclohexylcarbamate
CID 86243713

Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,4,6-trien-1-ylmethyl N-cyclohexylcarbamate?
The IUPAC name of cyclohepta-1,4,6-trien-1-ylmethyl N-cyclohexylcarbamate (CID 143007968) is cyclohepta-1,4,6-trien-1-ylmethyl N-cyclohexylcarbamate.
What is the SMILES notation for cyclohepta-1,4,6-trien-1-ylmethyl N-cyclohexylcarbamate?
The canonical SMILES for cyclohepta-1,4,6-trien-1-ylmethyl N-cyclohexylcarbamate is O=C(NC1CCCCC1)OCC1=CCC=CC=C1.
What is the InChIKey of cyclohepta-1,4,6-trien-1-ylmethyl N-cyclohexylcarbamate?
The InChIKey is GOSILEYZPIQICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(16-14-10-6-3-7-11-14)18-12-13-8-4-1-2-5-9-13/h1-2,4,8-9,14H,3,5-7,10-12H2,(H,16,17).
What are the key properties of cyclohepta-1,4,6-trien-1-ylmethyl N-cyclohexylcarbamate?
cyclohepta-1,4,6-trien-1-ylmethyl N-cyclohexylcarbamate has a molecular weight of 247.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,4,6-trien-1-ylmethyl N-cyclohexylcarbamate is sourced from PubChem (CID 143007968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).