2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole

C13H11ClN2O — CID 114771019

IUPAC2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole
SMILESClc1nnc(C2C3CCc4ccccc4C32)o1
InChIInChI=1S/C13H11ClN2O/c14-13-16-15-12(17-13)11-9-6-5-7-3-1-2-4-8(7)10(9)11/h1-4,9-11H,5-6H2
InChIKeyXYBURKMTCNZYCG-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.17
Rot. Bonds1

About 2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole

2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole (PubChem CID 114771019) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole
PubChem CID114771019
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole
SMILESClc1nnc(C2C3CCc4ccccc4C32)o1
InChIInChI=1S/C13H11ClN2O/c14-13-16-15-12(17-13)11-9-6-5-7-3-1-2-4-8(7)10(9)11/h1-4,9-11H,5-6H2
InChIKeyXYBURKMTCNZYCG-UHFFFAOYSA-N
XLogP3.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole with MolForge

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Related Compounds

5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-chloro-1,2,4-oxadiazole
CID 112572030
2-chloro-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazole
CID 107127961
4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine
CID 10443504
4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine
CID 112562111
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-cyclopropyl-1,2,4-triazole
CID 115394153
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1,2,4-triazole
CID 115394710
5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596259
(1R,10S,11R,15S)-13-phenyl-13-azatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6-triene-12,14-dione
CID 164667716
1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
CID 132609163
2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-6-amino-1H-1,3,5-triazine-4-thione
CID 83241113
5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carbonyl)furan-2-carboxylic acid
CID 106946876
[5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 115944003

Frequently Asked Questions

What is the IUPAC name of 2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole?
The IUPAC name of 2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole (CID 114771019) is 2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole?
The canonical SMILES for 2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole is Clc1nnc(C2C3CCc4ccccc4C32)o1.
What is the InChIKey of 2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole?
The InChIKey is XYBURKMTCNZYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-13-16-15-12(17-13)11-9-6-5-7-3-1-2-4-8(7)10(9)11/h1-4,9-11H,5-6H2.
What are the key properties of 2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole?
2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole has a molecular weight of 246.70 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole is sourced from PubChem (CID 114771019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).