1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride

C10H21ClN2O2 — CID 174531198

IUPAC1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride
SMILESC1CN2CCC12.CC(C)(C)OC(N)=O.Cl
InChIInChI=1S/C5H11NO2.C5H9N.ClH/c1-5(2,3)8-4(6)7;1-3-6-4-2-5(1)6;/h1-3H3,(H2,6,7);5H,1-4H2;1H
InChIKeyUCCGYSLUXAQJBT-UHFFFAOYSA-N
MW236.74 g/mol
LogP1.77
Rot. Bonds

About 1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride

1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride (PubChem CID 174531198) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is 1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride.

Molecular Properties

Compound Name1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride
PubChem CID174531198
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Name1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride
SMILESC1CN2CCC12.CC(C)(C)OC(N)=O.Cl
InChIInChI=1S/C5H11NO2.C5H9N.ClH/c1-5(2,3)8-4(6)7;1-3-6-4-2-5(1)6;/h1-3H3,(H2,6,7);5H,1-4H2;1H
InChIKeyUCCGYSLUXAQJBT-UHFFFAOYSA-N
XLogP1.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl 4-[(3R)-3-aminopyrrolidin-1-yl]piperidine-1-carboxylate
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tert-butyl carbamate;methylcyclohexane
CID 143641656
tert-butyl carbamate;cyclopropyne
CID 174661984
tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane
CID 174620186
tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride
CID 68579096
tert-butyl 2-[4-(4-methylpiperazin-1-yl)cyclohexyl]acetate
CID 58235996
4-aminocyclohexane-1-carboxylic acid;tert-butyl carbamate
CID 142197822
tert-butyl carbamate;iodomethylcyclobutane
CID 174767644
tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate
CID 139430473

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride?
The IUPAC name of 1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride (CID 174531198) is 1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride.
What is the SMILES notation for 1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride?
The canonical SMILES for 1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride is C1CN2CCC12.CC(C)(C)OC(N)=O.Cl.
What is the InChIKey of 1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride?
The InChIKey is UCCGYSLUXAQJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C5H9N.ClH/c1-5(2,3)8-4(6)7;1-3-6-4-2-5(1)6;/h1-3H3,(H2,6,7);5H,1-4H2;1H.
What are the key properties of 1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride?
1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride is sourced from PubChem (CID 174531198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).