(2-methyl-1,3-dihydroisoindol-5-yl)hydrazine

C9H13N3 — CID 55281459

IUPAC(2-methyl-1,3-dihydroisoindol-5-yl)hydrazine
SMILESCN1Cc2ccc(NN)cc2C1
InChIInChI=1S/C9H13N3/c1-12-5-7-2-3-9(11-10)4-8(7)6-12/h2-4,11H,5-6,10H2,1H3
InChIKeyLDLOTFDWCPOZQH-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.92
Rot. Bonds1

About (2-methyl-1,3-dihydroisoindol-5-yl)hydrazine

(2-methyl-1,3-dihydroisoindol-5-yl)hydrazine (PubChem CID 55281459) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (2-methyl-1,3-dihydroisoindol-5-yl)hydrazine.

Molecular Properties

Compound Name(2-methyl-1,3-dihydroisoindol-5-yl)hydrazine
PubChem CID55281459
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(2-methyl-1,3-dihydroisoindol-5-yl)hydrazine
SMILESCN1Cc2ccc(NN)cc2C1
InChIInChI=1S/C9H13N3/c1-12-5-7-2-3-9(11-10)4-8(7)6-12/h2-4,11H,5-6,10H2,1H3
InChIKeyLDLOTFDWCPOZQH-UHFFFAOYSA-N
XLogP0.92
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-dihydroisoindol-5-yl)hydrazine?
The IUPAC name of (2-methyl-1,3-dihydroisoindol-5-yl)hydrazine (CID 55281459) is (2-methyl-1,3-dihydroisoindol-5-yl)hydrazine.
What is the SMILES notation for (2-methyl-1,3-dihydroisoindol-5-yl)hydrazine?
The canonical SMILES for (2-methyl-1,3-dihydroisoindol-5-yl)hydrazine is CN1Cc2ccc(NN)cc2C1.
What is the InChIKey of (2-methyl-1,3-dihydroisoindol-5-yl)hydrazine?
The InChIKey is LDLOTFDWCPOZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-12-5-7-2-3-9(11-10)4-8(7)6-12/h2-4,11H,5-6,10H2,1H3.
What are the key properties of (2-methyl-1,3-dihydroisoindol-5-yl)hydrazine?
(2-methyl-1,3-dihydroisoindol-5-yl)hydrazine has a molecular weight of 163.22 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-dihydroisoindol-5-yl)hydrazine is sourced from PubChem (CID 55281459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).