1-[6-chloro-5-(methylidene-λ3-iodanyl)-1H-indol-3-yl]propan-2-one

C12H11ClINO — CID 163768775

IUPAC1-[6-chloro-5-(methylidene-λ3-iodanyl)-1H-indol-3-yl]propan-2-one
SMILESC=Ic1cc2c(CC(C)=O)c[nH]c2cc1Cl
InChIInChI=1S/C12H11ClINO/c1-7(16)3-8-6-15-12-5-10(13)11(14-2)4-9(8)12/h4-6,15H,2-3H2,1H3
InChIKeyMEQFCXIZVFNTIC-UHFFFAOYSA-N
MW347.58 g/mol
LogP3.53
Rot. Bonds3

About 1-[6-chloro-5-(methylidene-λ3-iodanyl)-1H-indol-3-yl]propan-2-one

1-[6-chloro-5-(methylidene-λ3-iodanyl)-1H-indol-3-yl]propan-2-one (PubChem CID 163768775) has the molecular formula C12H11ClINO and a molecular weight of 347.58 g/mol. Its IUPAC name is 1-[6-chloro-5-(methylidene-λ3-iodanyl)-1H-indol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[6-chloro-5-(methylidene-λ3-iodanyl)-1H-indol-3-yl]propan-2-one
PubChem CID163768775
Molecular FormulaC12H11ClINO
Molecular Weight347.58 g/mol
Exact Mass346.96
IUPAC Name1-[6-chloro-5-(methylidene-λ3-iodanyl)-1H-indol-3-yl]propan-2-one
SMILESC=Ic1cc2c(CC(C)=O)c[nH]c2cc1Cl
InChIInChI=1S/C12H11ClINO/c1-7(16)3-8-6-15-12-5-10(13)11(14-2)4-9(8)12/h4-6,15H,2-3H2,1H3
InChIKeyMEQFCXIZVFNTIC-UHFFFAOYSA-N
XLogP3.53
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.58
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(6-chloro-5-methoxy-1H-indol-3-yl)butan-2-one
CID 82499388
1-(4,5-dichloro-1H-indol-3-yl)propan-2-one
CID 82622105
2-[(5,6-dichloro-1H-indol-3-yl)methylsulfanyl]acetic acid
CID 57240301
2-acetamido-3-(5-bromo-6-chloro-1H-indol-3-yl)propanoic acid
CID 166609238
5-bromo-6-chloro-1H-indol-3-ol;butanoic acid
CID 66685115
4-(5-chloro-1H-indol-3-yl)butan-2-one
CID 28806460
2-(5-chloro-1H-indol-3-yl)acetate
CID 21122976
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 22485718
5-bromo-6-chloro-1H-indol-3-ol;hexadecanoic acid
CID 66684871
N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide
CID 110630730
3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanoic acid
CID 83984491

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-5-(methylidene-λ3-iodanyl)-1H-indol-3-yl]propan-2-one?
The IUPAC name of 1-[6-chloro-5-(methylidene-λ3-iodanyl)-1H-indol-3-yl]propan-2-one (CID 163768775) is 1-[6-chloro-5-(methylidene-λ3-iodanyl)-1H-indol-3-yl]propan-2-one.
What is the SMILES notation for 1-[6-chloro-5-(methylidene-λ3-iodanyl)-1H-indol-3-yl]propan-2-one?
The canonical SMILES for 1-[6-chloro-5-(methylidene-λ3-iodanyl)-1H-indol-3-yl]propan-2-one is C=Ic1cc2c(CC(C)=O)c[nH]c2cc1Cl.
What is the InChIKey of 1-[6-chloro-5-(methylidene-λ3-iodanyl)-1H-indol-3-yl]propan-2-one?
The InChIKey is MEQFCXIZVFNTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClINO/c1-7(16)3-8-6-15-12-5-10(13)11(14-2)4-9(8)12/h4-6,15H,2-3H2,1H3.
What are the key properties of 1-[6-chloro-5-(methylidene-λ3-iodanyl)-1H-indol-3-yl]propan-2-one?
1-[6-chloro-5-(methylidene-λ3-iodanyl)-1H-indol-3-yl]propan-2-one has a molecular weight of 347.58 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-5-(methylidene-λ3-iodanyl)-1H-indol-3-yl]propan-2-one is sourced from PubChem (CID 163768775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).