1-iodo-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-f]indole

C10H11IN2 — CID 145123011

IUPAC1-iodo-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-f]indole
SMILESIN1CCc2cc3c(cc21)CCN3
InChIInChI=1S/C10H11IN2/c11-13-4-2-8-5-9-7(1-3-12-9)6-10(8)13/h5-6,12H,1-4H2
InChIKeyONLUUVYVJWVDLU-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.37
Rot. Bonds

About 1-iodo-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-f]indole

1-iodo-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-f]indole (PubChem CID 145123011) has the molecular formula C10H11IN2 and a molecular weight of 286.12 g/mol. Its IUPAC name is 1-iodo-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-f]indole.

Molecular Properties

Compound Name1-iodo-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-f]indole
PubChem CID145123011
Molecular FormulaC10H11IN2
Molecular Weight286.12 g/mol
Exact Mass286.00
IUPAC Name1-iodo-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-f]indole
SMILESIN1CCc2cc3c(cc21)CCN3
InChIInChI=1S/C10H11IN2/c11-13-4-2-8-5-9-7(1-3-12-9)6-10(8)13/h5-6,12H,1-4H2
InChIKeyONLUUVYVJWVDLU-UHFFFAOYSA-N
XLogP2.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-f]indole?
The IUPAC name of 1-iodo-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-f]indole (CID 145123011) is 1-iodo-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-f]indole.
What is the SMILES notation for 1-iodo-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-f]indole?
The canonical SMILES for 1-iodo-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-f]indole is IN1CCc2cc3c(cc21)CCN3.
What is the InChIKey of 1-iodo-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-f]indole?
The InChIKey is ONLUUVYVJWVDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2/c11-13-4-2-8-5-9-7(1-3-12-9)6-10(8)13/h5-6,12H,1-4H2.
What are the key properties of 1-iodo-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-f]indole?
1-iodo-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-f]indole has a molecular weight of 286.12 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-f]indole is sourced from PubChem (CID 145123011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).