(2-prop-1-en-2-ylcyclohexyl) N-ethylcarbamate

C12H21NO2 — CID 122667712

IUPAC(2-prop-1-en-2-ylcyclohexyl) N-ethylcarbamate
SMILESC=C(C)C1CCCCC1OC(=O)NCC
InChIInChI=1S/C12H21NO2/c1-4-13-12(14)15-11-8-6-5-7-10(11)9(2)3/h10-11H,2,4-8H2,1,3H3,(H,13,14)
InChIKeyVDZAKYZJXBMGMI-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.87
Rot. Bonds3

About (2-prop-1-en-2-ylcyclohexyl) N-ethylcarbamate

(2-prop-1-en-2-ylcyclohexyl) N-ethylcarbamate (PubChem CID 122667712) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (2-prop-1-en-2-ylcyclohexyl) N-ethylcarbamate.

Molecular Properties

Compound Name(2-prop-1-en-2-ylcyclohexyl) N-ethylcarbamate
PubChem CID122667712
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(2-prop-1-en-2-ylcyclohexyl) N-ethylcarbamate
SMILESC=C(C)C1CCCCC1OC(=O)NCC
InChIInChI=1S/C12H21NO2/c1-4-13-12(14)15-11-8-6-5-7-10(11)9(2)3/h10-11H,2,4-8H2,1,3H3,(H,13,14)
InChIKeyVDZAKYZJXBMGMI-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.87
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

cyclopentyl N-ethylcarbamate
CID 54482890
cyclohexyl N-ethylcarbamate
CID 22978796
(2-prop-1-en-2-ylcyclohexyl) 2,2-difluoro-2-fluorosulfonylacetate
CID 147226644
[2-[3-[4-[[[2-(2-methylprop-2-enoyloxy)cyclohexyl]oxycarbonylamino]methyl]cyclohexyl]propanoyloxy]cyclohexyl] 2-methylprop-2-enoate
CID 157258003
trans-ethyl (1R,2R)-2-acetyloxycyclohexane-1-carboxylate
CID 101255181
azetidin-3-yl N-ethylcarbamate
CID 79338252
ethylcarbamoyl 2-methylprop-2-eneperoxoate
CID 87088549
[(1S,2R)-2-methylcyclohexyl] N-[6-[[(1S,2S)-2-methylcyclohexyl]oxycarbonylamino]hexyl]carbamate
CID 124922659
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate
CID 92975131
(1,2,2,3-tetramethylpiperidin-4-yl) N-ethylcarbamate
CID 175337294
1-(2-ethylcyclohexyl)-2-methylprop-2-en-1-one
CID 58325604
1-azabicyclo[2.2.2]octan-2-yl N-ethylcarbamate
CID 10559879

Frequently Asked Questions

What is the IUPAC name of (2-prop-1-en-2-ylcyclohexyl) N-ethylcarbamate?
The IUPAC name of (2-prop-1-en-2-ylcyclohexyl) N-ethylcarbamate (CID 122667712) is (2-prop-1-en-2-ylcyclohexyl) N-ethylcarbamate.
What is the SMILES notation for (2-prop-1-en-2-ylcyclohexyl) N-ethylcarbamate?
The canonical SMILES for (2-prop-1-en-2-ylcyclohexyl) N-ethylcarbamate is C=C(C)C1CCCCC1OC(=O)NCC.
What is the InChIKey of (2-prop-1-en-2-ylcyclohexyl) N-ethylcarbamate?
The InChIKey is VDZAKYZJXBMGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-13-12(14)15-11-8-6-5-7-10(11)9(2)3/h10-11H,2,4-8H2,1,3H3,(H,13,14).
What are the key properties of (2-prop-1-en-2-ylcyclohexyl) N-ethylcarbamate?
(2-prop-1-en-2-ylcyclohexyl) N-ethylcarbamate has a molecular weight of 211.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-1-en-2-ylcyclohexyl) N-ethylcarbamate is sourced from PubChem (CID 122667712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).