4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one

C12H10INO — CID 53359870

IUPAC4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one
SMILESO=c1c(I)c2n(c3ccccc13)CCC2
InChIInChI=1S/C12H10INO/c13-11-10-6-3-7-14(10)9-5-2-1-4-8(9)12(11)15/h1-2,4-5H,3,6-7H2
InChIKeyGEMKMRJEBKYLED-UHFFFAOYSA-N
MW311.12 g/mol
LogP2.55
Rot. Bonds

About 4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one

4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one (PubChem CID 53359870) has the molecular formula C12H10INO and a molecular weight of 311.12 g/mol. Its IUPAC name is 4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one.

Molecular Properties

Compound Name4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one
PubChem CID53359870
Molecular FormulaC12H10INO
Molecular Weight311.12 g/mol
Exact Mass310.98
IUPAC Name4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one
SMILESO=c1c(I)c2n(c3ccccc13)CCC2
InChIInChI=1S/C12H10INO/c13-11-10-6-3-7-14(10)9-5-2-1-4-8(9)12(11)15/h1-2,4-5H,3,6-7H2
InChIKeyGEMKMRJEBKYLED-UHFFFAOYSA-N
XLogP2.55
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
CID 134444762
6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid
CID 19599427
4-prop-2-enyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
CID 11074354
6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile
CID 10442668
10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole
CID 58315233
10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole
CID 145177333
11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one
CID 24977612
11-iodobenzo[b][1]benzazepine-5,6-dione
CID 139448452
(4-methylnaphthalen-1-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone
CID 66764509
(4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone
CID 56838054
3-iodo-2-methyl-1-propan-2-ylquinolin-4-one
CID 176548683
10-(4-chlorophenyl)-1,2,3,4-tetrahydroacridin-9-one
CID 165354564

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one?
The IUPAC name of 4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one (CID 53359870) is 4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one.
What is the SMILES notation for 4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one?
The canonical SMILES for 4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one is O=c1c(I)c2n(c3ccccc13)CCC2.
What is the InChIKey of 4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one?
The InChIKey is GEMKMRJEBKYLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO/c13-11-10-6-3-7-14(10)9-5-2-1-4-8(9)12(11)15/h1-2,4-5H,3,6-7H2.
What are the key properties of 4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one?
4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one has a molecular weight of 311.12 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one is sourced from PubChem (CID 53359870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).