1,3-dihydroisoindole-2-carboximidamide;hydrochloride

C9H12ClN3 — CID 86775511

IUPAC1,3-dihydroisoindole-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1Cc2ccccc2C1
InChIInChI=1S/C9H11N3.ClH/c10-9(11)12-5-7-3-1-2-4-8(7)6-12;/h1-4H,5-6H2,(H3,10,11);1H
InChIKeyYYZMXYNFDIMCGB-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.32
Rot. Bonds

About 1,3-dihydroisoindole-2-carboximidamide;hydrochloride

1,3-dihydroisoindole-2-carboximidamide;hydrochloride (PubChem CID 86775511) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 1,3-dihydroisoindole-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name1,3-dihydroisoindole-2-carboximidamide;hydrochloride
PubChem CID86775511
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name1,3-dihydroisoindole-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1Cc2ccccc2C1
InChIInChI=1S/C9H11N3.ClH/c10-9(11)12-5-7-3-1-2-4-8(7)6-12;/h1-4H,5-6H2,(H3,10,11);1H
InChIKeyYYZMXYNFDIMCGB-UHFFFAOYSA-N
XLogP1.32
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.32
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 1,3-dihydroisoindole-2-carboximidamide;hydrochloride?
The IUPAC name of 1,3-dihydroisoindole-2-carboximidamide;hydrochloride (CID 86775511) is 1,3-dihydroisoindole-2-carboximidamide;hydrochloride.
What is the SMILES notation for 1,3-dihydroisoindole-2-carboximidamide;hydrochloride?
The canonical SMILES for 1,3-dihydroisoindole-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)N1Cc2ccccc2C1.
What is the InChIKey of 1,3-dihydroisoindole-2-carboximidamide;hydrochloride?
The InChIKey is YYZMXYNFDIMCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.ClH/c10-9(11)12-5-7-3-1-2-4-8(7)6-12;/h1-4H,5-6H2,(H3,10,11);1H.
What are the key properties of 1,3-dihydroisoindole-2-carboximidamide;hydrochloride?
1,3-dihydroisoindole-2-carboximidamide;hydrochloride has a molecular weight of 197.67 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindole-2-carboximidamide;hydrochloride is sourced from PubChem (CID 86775511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).