2a-iodo-1,3,4,5-tetrahydrobenzo[cd]indol-2-one

C11H10INO — CID 15338106

IUPAC2a-iodo-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
SMILESO=C1Nc2cccc3c2C1(I)CCC3
InChIInChI=1S/C11H10INO/c12-11-6-2-4-7-3-1-5-8(9(7)11)13-10(11)14/h1,3,5H,2,4,6H2,(H,13,14)
InChIKeyYEVHPNCIYDVJNH-UHFFFAOYSA-N
MW299.11 g/mol
LogP2.61
Rot. Bonds

About 2a-iodo-1,3,4,5-tetrahydrobenzo[cd]indol-2-one

2a-iodo-1,3,4,5-tetrahydrobenzo[cd]indol-2-one (PubChem CID 15338106) has the molecular formula C11H10INO and a molecular weight of 299.11 g/mol. Its IUPAC name is 2a-iodo-1,3,4,5-tetrahydrobenzo[cd]indol-2-one.

Molecular Properties

Compound Name2a-iodo-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
PubChem CID15338106
Molecular FormulaC11H10INO
Molecular Weight299.11 g/mol
Exact Mass298.98
IUPAC Name2a-iodo-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
SMILESO=C1Nc2cccc3c2C1(I)CCC3
InChIInChI=1S/C11H10INO/c12-11-6-2-4-7-3-1-5-8(9(7)11)13-10(11)14/h1,3,5H,2,4,6H2,(H,13,14)
InChIKeyYEVHPNCIYDVJNH-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2a-(5-bromopentyl)-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CID 15542634
methane;1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 143703020
8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one
CID 115097593
8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one
CID 115096866
ethane;1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 91147283
(2aS)-2a-[4-(2-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CID 12049562
2a-[4-[4-(2-acetylphenyl)piperazin-1-yl]butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CID 10884517
ethane;5,10,11,12-tetrahydrobenzo[b][1]benzazocine
CID 142101611
spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 4230334
2-(2-chloroethylsulfonyl)-1,4,5,6-tetrahydroperimidin-3a-amine
CID 70546912
8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one
CID 115097235
5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene
CID 84721040

Frequently Asked Questions

What is the IUPAC name of 2a-iodo-1,3,4,5-tetrahydrobenzo[cd]indol-2-one?
The IUPAC name of 2a-iodo-1,3,4,5-tetrahydrobenzo[cd]indol-2-one (CID 15338106) is 2a-iodo-1,3,4,5-tetrahydrobenzo[cd]indol-2-one.
What is the SMILES notation for 2a-iodo-1,3,4,5-tetrahydrobenzo[cd]indol-2-one?
The canonical SMILES for 2a-iodo-1,3,4,5-tetrahydrobenzo[cd]indol-2-one is O=C1Nc2cccc3c2C1(I)CCC3.
What is the InChIKey of 2a-iodo-1,3,4,5-tetrahydrobenzo[cd]indol-2-one?
The InChIKey is YEVHPNCIYDVJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INO/c12-11-6-2-4-7-3-1-5-8(9(7)11)13-10(11)14/h1,3,5H,2,4,6H2,(H,13,14).
What are the key properties of 2a-iodo-1,3,4,5-tetrahydrobenzo[cd]indol-2-one?
2a-iodo-1,3,4,5-tetrahydrobenzo[cd]indol-2-one has a molecular weight of 299.11 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2a-iodo-1,3,4,5-tetrahydrobenzo[cd]indol-2-one is sourced from PubChem (CID 15338106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).