6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C12H13IN2 — CID 71738002

IUPAC6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESNC1CCCc2c1[nH]c1ccc(I)cc21
InChIInChI=1S/C12H13IN2/c13-7-4-5-11-9(6-7)8-2-1-3-10(14)12(8)15-11/h4-6,10,15H,1-3,14H2
InChIKeyNAOUQJDQTBBRNY-UHFFFAOYSA-N
MW312.15 g/mol
LogP3.11
Rot. Bonds

About 6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine

6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 71738002) has the molecular formula C12H13IN2 and a molecular weight of 312.15 g/mol. Its IUPAC name is 6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID71738002
Molecular FormulaC12H13IN2
Molecular Weight312.15 g/mol
Exact Mass312.01
IUPAC Name6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESNC1CCCc2c1[nH]c1ccc(I)cc21
InChIInChI=1S/C12H13IN2/c13-7-4-5-11-9(6-7)8-2-1-3-10(14)12(8)15-11/h4-6,10,15H,1-3,14H2
InChIKeyNAOUQJDQTBBRNY-UHFFFAOYSA-N
XLogP3.11
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 71738002) is 6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine is NC1CCCc2c1[nH]c1ccc(I)cc21.
What is the InChIKey of 6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is NAOUQJDQTBBRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2/c13-7-4-5-11-9(6-7)8-2-1-3-10(14)12(8)15-11/h4-6,10,15H,1-3,14H2.
What are the key properties of 6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 312.15 g/mol, XLogP of 3.11, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 71738002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).