(11R)-11-chloro-12-nitrosotricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene

C12H10ClNO — CID 5314116

IUPAC(11R)-11-chloro-12-nitrosotricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene
SMILESO=NC1C2C=CC(c3ccccc32)[C@H]1Cl
InChIInChI=1S/C12H10ClNO/c13-11-9-5-6-10(12(11)14-15)8-4-2-1-3-7(8)9/h1-6,9-12H/t9?,10?,11-,12?/m1/s1
InChIKeyQVQZBWOGCVGOAC-QDLLBCNESA-N
MW219.67 g/mol
LogP3.18
Rot. Bonds1

About (11R)-11-chloro-12-nitrosotricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene

(11R)-11-chloro-12-nitrosotricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene (PubChem CID 5314116) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is (11R)-11-chloro-12-nitrosotricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name(11R)-11-chloro-12-nitrosotricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene
PubChem CID5314116
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name(11R)-11-chloro-12-nitrosotricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene
SMILESO=NC1C2C=CC(c3ccccc32)[C@H]1Cl
InChIInChI=1S/C12H10ClNO/c13-11-9-5-6-10(12(11)14-15)8-4-2-1-3-7(8)9/h1-6,9-12H/t9?,10?,11-,12?/m1/s1
InChIKeyQVQZBWOGCVGOAC-QDLLBCNESA-N
XLogP3.18
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9,10-dinitroso-9,10-dihydroanthracene
CID 56609294
(1S,8R,9R,11S)-tetracyclo[6.3.2.02,7.09,11]trideca-2,4,6,12-tetraene-10-carbaldehyde
CID 11830355
heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3,5,7,11,13,15,19,21,23-nonaene
CID 101073246
(1R,2R,9S,10S,11S,12S)-11,12-dichlorotetracyclo[8.2.1.02,9.03,8]trideca-3,5,7-triene
CID 22216876
trimethyl-[(1S,8R)-11-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl]stannane
CID 71544932
(1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol
CID 10511719
(1S,8S,9S,12R)-10-azatetracyclo[6.4.2.29,12.02,7]hexadeca-2,4,6,13,15-pentaen-11-one
CID 10846733
(1R,8S,9S,12S)-8-chlorotricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-12-carbonitrile
CID 131507927
(1R,8S)-11-chlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 130699170
(1R,2S,7S,8S)-7-fluoro-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13,15-tetraene-4,6-dione
CID 101425380
(2R,7R)-7-fluoro-3,5-dimethyl-3,5-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-9,11,13,15-tetraene-4,6-dione
CID 101357990
2-(2,3-dichlorocyclopropyl)phenol
CID 69048040

Frequently Asked Questions

What is the IUPAC name of (11R)-11-chloro-12-nitrosotricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene?
The IUPAC name of (11R)-11-chloro-12-nitrosotricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene (CID 5314116) is (11R)-11-chloro-12-nitrosotricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene.
What is the SMILES notation for (11R)-11-chloro-12-nitrosotricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene?
The canonical SMILES for (11R)-11-chloro-12-nitrosotricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene is O=NC1C2C=CC(c3ccccc32)[C@H]1Cl.
What is the InChIKey of (11R)-11-chloro-12-nitrosotricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene?
The InChIKey is QVQZBWOGCVGOAC-QDLLBCNESA-N. The full InChI is InChI=1S/C12H10ClNO/c13-11-9-5-6-10(12(11)14-15)8-4-2-1-3-7(8)9/h1-6,9-12H/t9?,10?,11-,12?/m1/s1.
What are the key properties of (11R)-11-chloro-12-nitrosotricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene?
(11R)-11-chloro-12-nitrosotricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene has a molecular weight of 219.67 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-11-chloro-12-nitrosotricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene is sourced from PubChem (CID 5314116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).