2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-chloroethoxy]-9H-carbazole

C21H21ClN2O — CID 18942268

IUPAC2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-chloroethoxy]-9H-carbazole
SMILESCl/C(COc1ccc2c(c1)[nH]c1ccccc12)=C1\CN2CCC1CC2
InChIInChI=1S/C21H21ClN2O/c22-19(18-12-24-9-7-14(18)8-10-24)13-25-15-5-6-17-16-3-1-2-4-20(16)23-21(17)11-15/h1-6,11,14,23H,7-10,12-13H2/b19-18+
InChIKeyURDGHZRLYVMOCT-VHEBQXMUSA-N
MW352.86 g/mol
LogP4.92
Rot. Bonds3

About 2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-chloroethoxy]-9H-carbazole

2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-chloroethoxy]-9H-carbazole (PubChem CID 18942268) has the molecular formula C21H21ClN2O and a molecular weight of 352.86 g/mol. Its IUPAC name is 2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-chloroethoxy]-9H-carbazole.

Molecular Properties

Compound Name2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-chloroethoxy]-9H-carbazole
PubChem CID18942268
Molecular FormulaC21H21ClN2O
Molecular Weight352.86 g/mol
Exact Mass352.13
IUPAC Name2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-chloroethoxy]-9H-carbazole
SMILESCl/C(COc1ccc2c(c1)[nH]c1ccccc12)=C1\CN2CCC1CC2
InChIInChI=1S/C21H21ClN2O/c22-19(18-12-24-9-7-14(18)8-10-24)13-25-15-5-6-17-16-3-1-2-4-20(16)23-21(17)11-15/h1-6,11,14,23H,7-10,12-13H2/b19-18+
InChIKeyURDGHZRLYVMOCT-VHEBQXMUSA-N
XLogP4.92
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)pentoxy]-9H-carbazole
CID 67720865
2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole
CID 22829467
2-(cyclopropylmethoxy)-9H-carbazole
CID 143672103
2-[2-(2-fluoro-1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole
CID 67254218
2-(oxolan-2-ylmethoxy)-9H-carbazole
CID 156775567
2-(9H-carbazol-2-yloxy)-N-phenylacetamide
CID 7714190
N-butyl-2-(9H-carbazol-2-yloxy)acetamide
CID 7714244
2-(9H-carbazol-2-yloxy)-N-(2-methylphenyl)acetamide
CID 17493998
3-[2-(oxiran-2-yl)ethoxy]-9H-carbazole
CID 72711827
2-(9H-carbazol-2-yloxy)-N-(3-chloro-4-cyanophenyl)acetamide
CID 7714260
3-[3-(oxiran-2-yl)propoxy]-9H-carbazole
CID 72711828
(2R)-4-benzyl-2-(9H-carbazol-2-yloxymethyl)morpholin-4-ium
CID 8850884

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-chloroethoxy]-9H-carbazole?
The IUPAC name of 2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-chloroethoxy]-9H-carbazole (CID 18942268) is 2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-chloroethoxy]-9H-carbazole.
What is the SMILES notation for 2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-chloroethoxy]-9H-carbazole?
The canonical SMILES for 2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-chloroethoxy]-9H-carbazole is Cl/C(COc1ccc2c(c1)[nH]c1ccccc12)=C1\CN2CCC1CC2.
What is the InChIKey of 2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-chloroethoxy]-9H-carbazole?
The InChIKey is URDGHZRLYVMOCT-VHEBQXMUSA-N. The full InChI is InChI=1S/C21H21ClN2O/c22-19(18-12-24-9-7-14(18)8-10-24)13-25-15-5-6-17-16-3-1-2-4-20(16)23-21(17)11-15/h1-6,11,14,23H,7-10,12-13H2/b19-18+.
What are the key properties of 2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-chloroethoxy]-9H-carbazole?
2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-chloroethoxy]-9H-carbazole has a molecular weight of 352.86 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-chloroethoxy]-9H-carbazole is sourced from PubChem (CID 18942268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).