9-methyl-2λ3-iodabicyclo[4.4.0]deca-1(6),2,4,7-tetraene

C10H11I — CID 142165770

IUPAC9-methyl-2λ3-iodabicyclo[4.4.0]deca-1(6),2,4,7-tetraene
SMILESCC1C=CC2=C(C1)I=CC=C2
InChIInChI=1S/C10H11I/c1-8-4-5-9-3-2-6-11-10(9)7-8/h2-6,8H,7H2,1H3
InChIKeyMJPFNKFOKLXQNL-UHFFFAOYSA-N
MW258.10 g/mol
LogP3.18
Rot. Bonds

About 9-methyl-2λ3-iodabicyclo[4.4.0]deca-1(6),2,4,7-tetraene

9-methyl-2λ3-iodabicyclo[4.4.0]deca-1(6),2,4,7-tetraene (PubChem CID 142165770) has the molecular formula C10H11I and a molecular weight of 258.10 g/mol. Its IUPAC name is 9-methyl-2λ3-iodabicyclo[4.4.0]deca-1(6),2,4,7-tetraene.

Molecular Properties

Compound Name9-methyl-2λ3-iodabicyclo[4.4.0]deca-1(6),2,4,7-tetraene
PubChem CID142165770
Molecular FormulaC10H11I
Molecular Weight258.10 g/mol
Exact Mass257.99
IUPAC Name9-methyl-2λ3-iodabicyclo[4.4.0]deca-1(6),2,4,7-tetraene
SMILESCC1C=CC2=C(C1)I=CC=C2
InChIInChI=1S/C10H11I/c1-8-4-5-9-3-2-6-11-10(9)7-8/h2-6,8H,7H2,1H3
InChIKeyMJPFNKFOKLXQNL-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-methylcyclohexa-1,3-dien-1-amine
CID 67612284
1,2-dibromo-5-methylcyclohexa-1,3-diene
CID 163708440
6-methyl-6,7-dihydro-1,3-benzothiazol-2-amine
CID 89004071
(5S)-1-fluoro-2,5-dimethylcyclohexa-1,3-diene
CID 70325778
(5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene
CID 130391076
6-diazo-4-methylcyclohex-2-en-1-one
CID 22892422
(2,4-dimethylcyclohexa-1,5-dien-1-yl)phosphane;methanamine;molecular hydrogen
CID 143344740
bicyclo[2.2.1]hepta-2,5-diene;(3Z)-3-ethylidene-5-methylcyclopentene;methane
CID 165090077
2-chloro-5-methyl-1-nitrocyclohexa-1,3-diene
CID 163618313
3,6-dimethyl-6,7-dihydro-1-benzothiophene
CID 143335332
CID 89168186
CID 89168186
7-methyl-7,8-dihydroquinazolin-4-amine
CID 135259181

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2λ3-iodabicyclo[4.4.0]deca-1(6),2,4,7-tetraene?
The IUPAC name of 9-methyl-2λ3-iodabicyclo[4.4.0]deca-1(6),2,4,7-tetraene (CID 142165770) is 9-methyl-2λ3-iodabicyclo[4.4.0]deca-1(6),2,4,7-tetraene.
What is the SMILES notation for 9-methyl-2λ3-iodabicyclo[4.4.0]deca-1(6),2,4,7-tetraene?
The canonical SMILES for 9-methyl-2λ3-iodabicyclo[4.4.0]deca-1(6),2,4,7-tetraene is CC1C=CC2=C(C1)I=CC=C2.
What is the InChIKey of 9-methyl-2λ3-iodabicyclo[4.4.0]deca-1(6),2,4,7-tetraene?
The InChIKey is MJPFNKFOKLXQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11I/c1-8-4-5-9-3-2-6-11-10(9)7-8/h2-6,8H,7H2,1H3.
What are the key properties of 9-methyl-2λ3-iodabicyclo[4.4.0]deca-1(6),2,4,7-tetraene?
9-methyl-2λ3-iodabicyclo[4.4.0]deca-1(6),2,4,7-tetraene has a molecular weight of 258.10 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2λ3-iodabicyclo[4.4.0]deca-1(6),2,4,7-tetraene is sourced from PubChem (CID 142165770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).