methyl N-(1-azabicyclo[2.2.2]octan-4-yl)carbamate

C9H16N2O2 — CID 130007998

IUPACmethyl N-(1-azabicyclo[2.2.2]octan-4-yl)carbamate
SMILESCOC(=O)NC12CCN(CC1)CC2
InChIInChI=1S/C9H16N2O2/c1-13-8(12)10-9-2-5-11(6-3-9)7-4-9/h2-7H2,1H3,(H,10,12)
InChIKeyDFULQCQUYKMXMB-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.58
Rot. Bonds1

About methyl N-(1-azabicyclo[2.2.2]octan-4-yl)carbamate

methyl N-(1-azabicyclo[2.2.2]octan-4-yl)carbamate (PubChem CID 130007998) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is methyl N-(1-azabicyclo[2.2.2]octan-4-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-azabicyclo[2.2.2]octan-4-yl)carbamate
PubChem CID130007998
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Namemethyl N-(1-azabicyclo[2.2.2]octan-4-yl)carbamate
SMILESCOC(=O)NC12CCN(CC1)CC2
InChIInChI=1S/C9H16N2O2/c1-13-8(12)10-9-2-5-11(6-3-9)7-4-9/h2-7H2,1H3,(H,10,12)
InChIKeyDFULQCQUYKMXMB-UHFFFAOYSA-N
XLogP0.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate
CID 19883846
N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide;hydrate
CID 23621400
tert-butyl N-(1-azabicyclo[2.2.2]octan-4-ylmethylamino)carbamate
CID 90127634
methyl N-[(4R,7S)-1-tricyclo[5.2.1.04,10]decanyl]carbamate
CID 94036929
N-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide
CID 10583285
methyl N-(1-carbonochloridoylcyclohexyl)carbamate
CID 88817700
methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate
CID 168931490
methyl N-[1-(aminomethyl)cyclohexyl]carbamate
CID 63765596
methyl 1-(4,4-difluoropiperidin-1-yl)cyclopropane-1-carboxylate
CID 169171710
4-(methoxycarbonylamino)-1-phenylpiperidine-4-carboxylic acid
CID 167851958
methyl N-(1-cyano-2,2-dimethylcyclopropyl)carbamate
CID 130741851
methyl N-(3-cyanothiolan-3-yl)carbamate
CID 130878721

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-azabicyclo[2.2.2]octan-4-yl)carbamate?
The IUPAC name of methyl N-(1-azabicyclo[2.2.2]octan-4-yl)carbamate (CID 130007998) is methyl N-(1-azabicyclo[2.2.2]octan-4-yl)carbamate.
What is the SMILES notation for methyl N-(1-azabicyclo[2.2.2]octan-4-yl)carbamate?
The canonical SMILES for methyl N-(1-azabicyclo[2.2.2]octan-4-yl)carbamate is COC(=O)NC12CCN(CC1)CC2.
What is the InChIKey of methyl N-(1-azabicyclo[2.2.2]octan-4-yl)carbamate?
The InChIKey is DFULQCQUYKMXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-13-8(12)10-9-2-5-11(6-3-9)7-4-9/h2-7H2,1H3,(H,10,12).
What are the key properties of methyl N-(1-azabicyclo[2.2.2]octan-4-yl)carbamate?
methyl N-(1-azabicyclo[2.2.2]octan-4-yl)carbamate has a molecular weight of 184.24 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-azabicyclo[2.2.2]octan-4-yl)carbamate is sourced from PubChem (CID 130007998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).