4-bromo-2,3-dihydro-1H-indene-2-carboximidamide

C10H11BrN2 — CID 121451174

IUPAC4-bromo-2,3-dihydro-1H-indene-2-carboximidamide
SMILES[H]/N=C(\N)C1Cc2cccc(Br)c2C1
InChIInChI=1S/C10H11BrN2/c11-9-3-1-2-6-4-7(10(12)13)5-8(6)9/h1-3,7H,4-5H2,(H3,12,13)
InChIKeyBXHNNNKGZPGLCS-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.10
Rot. Bonds1

About 4-bromo-2,3-dihydro-1H-indene-2-carboximidamide

4-bromo-2,3-dihydro-1H-indene-2-carboximidamide (PubChem CID 121451174) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 4-bromo-2,3-dihydro-1H-indene-2-carboximidamide.

Molecular Properties

Compound Name4-bromo-2,3-dihydro-1H-indene-2-carboximidamide
PubChem CID121451174
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name4-bromo-2,3-dihydro-1H-indene-2-carboximidamide
SMILES[H]/N=C(\N)C1Cc2cccc(Br)c2C1
InChIInChI=1S/C10H11BrN2/c11-9-3-1-2-6-4-7(10(12)13)5-8(6)9/h1-3,7H,4-5H2,(H3,12,13)
InChIKeyBXHNNNKGZPGLCS-UHFFFAOYSA-N
XLogP2.10
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dihydro-1H-indene-2-carboximidamide?
The IUPAC name of 4-bromo-2,3-dihydro-1H-indene-2-carboximidamide (CID 121451174) is 4-bromo-2,3-dihydro-1H-indene-2-carboximidamide.
What is the SMILES notation for 4-bromo-2,3-dihydro-1H-indene-2-carboximidamide?
The canonical SMILES for 4-bromo-2,3-dihydro-1H-indene-2-carboximidamide is [H]/N=C(\N)C1Cc2cccc(Br)c2C1.
What is the InChIKey of 4-bromo-2,3-dihydro-1H-indene-2-carboximidamide?
The InChIKey is BXHNNNKGZPGLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c11-9-3-1-2-6-4-7(10(12)13)5-8(6)9/h1-3,7H,4-5H2,(H3,12,13).
What are the key properties of 4-bromo-2,3-dihydro-1H-indene-2-carboximidamide?
4-bromo-2,3-dihydro-1H-indene-2-carboximidamide has a molecular weight of 239.12 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dihydro-1H-indene-2-carboximidamide is sourced from PubChem (CID 121451174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).