methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate

C14H20N2O3 — CID 141363764

IUPACmethyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate
SMILESCOC(=O)NC(C(=O)n1cccc1)C1CCCCC1
InChIInChI=1S/C14H20N2O3/c1-19-14(18)15-12(11-7-3-2-4-8-11)13(17)16-9-5-6-10-16/h5-6,9-12H,2-4,7-8H2,1H3,(H,15,18)
InChIKeyLWSBARHXDBLBFG-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.43
Rot. Bonds3

About methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate

methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate (PubChem CID 141363764) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate
PubChem CID141363764
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate
SMILESCOC(=O)NC(C(=O)n1cccc1)C1CCCCC1
InChIInChI=1S/C14H20N2O3/c1-19-14(18)15-12(11-7-3-2-4-8-11)13(17)16-9-5-6-10-16/h5-6,9-12H,2-4,7-8H2,1H3,(H,15,18)
InChIKeyLWSBARHXDBLBFG-UHFFFAOYSA-N
XLogP2.43
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 68574299
methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
CID 126658283
methyl N-[(1S)-1-cyclohexyl-4-methyl-2-oxopentyl]carbamate
CID 161131718
methyl N-[cyano(cyclohexyl)methyl]carbamate
CID 61124825
methyl (Z)-3-(benzylamino)-2-[(S)-cyclohexyl-(methoxycarbonylamino)methyl]but-2-enoate
CID 24749994
ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate
CID 143630049
methyl N-(1-cyclohexylprop-2-enyl)carbamate
CID 121221949
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
methyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate
CID 118066650
cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156707801
(2S)-1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]azetidine-2-carboxylic acid
CID 175131953
methyl N-[1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
CID 123788721

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate?
The IUPAC name of methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate (CID 141363764) is methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate.
What is the SMILES notation for methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate?
The canonical SMILES for methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate is COC(=O)NC(C(=O)n1cccc1)C1CCCCC1.
What is the InChIKey of methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate?
The InChIKey is LWSBARHXDBLBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-14(18)15-12(11-7-3-2-4-8-11)13(17)16-9-5-6-10-16/h5-6,9-12H,2-4,7-8H2,1H3,(H,15,18).
What are the key properties of methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate?
methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate has a molecular weight of 264.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-cyclohexyl-2-oxo-2-pyrrol-1-ylethyl)carbamate is sourced from PubChem (CID 141363764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).