1-morpholin-4-yl-2-oxa-5-azabicyclo[2.2.1]heptane

C9H16N2O2 — CID 151870745

IUPAC1-morpholin-4-yl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC1CN(C23CNC(CO2)C3)CCO1
InChIInChI=1S/C9H16N2O2/c1-3-12-4-2-11(1)9-5-8(6-13-9)10-7-9/h8,10H,1-7H2
InChIKeySMQBAXIMTWSPIP-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.59
Rot. Bonds1

About 1-morpholin-4-yl-2-oxa-5-azabicyclo[2.2.1]heptane

1-morpholin-4-yl-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 151870745) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-morpholin-4-yl-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID151870745
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-morpholin-4-yl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC1CN(C23CNC(CO2)C3)CCO1
InChIInChI=1S/C9H16N2O2/c1-3-12-4-2-11(1)9-5-8(6-13-9)10-7-9/h8,10H,1-7H2
InChIKeySMQBAXIMTWSPIP-UHFFFAOYSA-N
XLogP-0.59
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethenyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 71306274
2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethanol;hydrochloride
CID 155892704
4-(1-morpholin-4-ylcyclopropyl)morpholine
CID 121219677
4-(2,2-dimorpholin-4-ylthiomorpholin-3-yl)morpholine
CID 174292103
4-[(4,4-difluoropyrrolidin-2-yl)methyl]morpholine
CID 167996551
4-(4-morpholin-4-yltrioxolan-4-yl)morpholine
CID 175093408
4-spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-ylmorpholine
CID 169144071
4-morpholin-4-ylthiane-4-carboxylic acid
CID 61339323
2-(3-morpholin-4-ylazetidin-3-yl)acetonitrile
CID 134330793
6-morpholin-4-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 72742222
CID 135034340
CID 135034340
4-[3-(1,3-dioxol-2-yl)-6-piperazin-1-yl-3-(1,3-thiazolidin-2-yl)-2-thiomorpholin-4-yl-1,4-dioxan-2-yl]morpholine
CID 141181562

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 1-morpholin-4-yl-2-oxa-5-azabicyclo[2.2.1]heptane (CID 151870745) is 1-morpholin-4-yl-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 1-morpholin-4-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 1-morpholin-4-yl-2-oxa-5-azabicyclo[2.2.1]heptane is C1CN(C23CNC(CO2)C3)CCO1.
What is the InChIKey of 1-morpholin-4-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is SMQBAXIMTWSPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-12-4-2-11(1)9-5-8(6-13-9)10-7-9/h8,10H,1-7H2.
What are the key properties of 1-morpholin-4-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
1-morpholin-4-yl-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 184.24 g/mol, XLogP of -0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 151870745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).