(1S)-3-chlorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-one

C11H9ClO — CID 89408441

IUPAC(1S)-3-chlorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-one
SMILESO=C1C2CC[C@H]1c1c(Cl)cccc12
InChIInChI=1S/C11H9ClO/c12-9-3-1-2-6-7-4-5-8(10(6)9)11(7)13/h1-3,7-8H,4-5H2/t7?,8-/m0/s1
InChIKeyGPWRDSOBWSRHIP-MQWKRIRWSA-N
MW192.65 g/mol
LogP2.88
Rot. Bonds

About (1S)-3-chlorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-one

(1S)-3-chlorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-one (PubChem CID 89408441) has the molecular formula C11H9ClO and a molecular weight of 192.65 g/mol. Its IUPAC name is (1S)-3-chlorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-one.

Molecular Properties

Compound Name(1S)-3-chlorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-one
PubChem CID89408441
Molecular FormulaC11H9ClO
Molecular Weight192.65 g/mol
Exact Mass192.03
IUPAC Name(1S)-3-chlorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-one
SMILESO=C1C2CC[C@H]1c1c(Cl)cccc12
InChIInChI=1S/C11H9ClO/c12-9-3-1-2-6-7-4-5-8(10(6)9)11(7)13/h1-3,7-8H,4-5H2/t7?,8-/m0/s1
InChIKeyGPWRDSOBWSRHIP-MQWKRIRWSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 18760303
1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 2867658
(2S)-2-(2-chlorophenyl)cyclobutan-1-one
CID 95240660
1-(2,6-dichlorophenyl)-1,3-dihydroinden-2-one
CID 4778105
3,10-dichloropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 4224088
(1S,8S)-3,10-dichloropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 95564315
(5R)-2-(2-chlorophenyl)-5-hydroxycyclohexan-1-one
CID 145410671
3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione
CID 163627145
(1S,8S)-tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9,10-dione
CID 98163918
4-(2-chlorophenyl)cyclohexan-1-one
CID 19705258
(E)-3-(6,10-dichloro-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaenyl)prop-2-enoic acid
CID 122696622

Frequently Asked Questions

What is the IUPAC name of (1S)-3-chlorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-one?
The IUPAC name of (1S)-3-chlorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-one (CID 89408441) is (1S)-3-chlorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-one.
What is the SMILES notation for (1S)-3-chlorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-one?
The canonical SMILES for (1S)-3-chlorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-one is O=C1C2CC[C@H]1c1c(Cl)cccc12.
What is the InChIKey of (1S)-3-chlorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-one?
The InChIKey is GPWRDSOBWSRHIP-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H9ClO/c12-9-3-1-2-6-7-4-5-8(10(6)9)11(7)13/h1-3,7-8H,4-5H2/t7?,8-/m0/s1.
What are the key properties of (1S)-3-chlorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-one?
(1S)-3-chlorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-one has a molecular weight of 192.65 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-chlorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-one is sourced from PubChem (CID 89408441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).