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

C9H13N3 — CID 116997170

IUPAC(1-methyl-2,3-dihydroindol-5-yl)hydrazine
SMILESCN1CCc2cc(NN)ccc21
InChIInChI=1S/C9H13N3/c1-12-5-4-7-6-8(11-10)2-3-9(7)12/h2-3,6,11H,4-5,10H2,1H3
InChIKeyDBGZYAXXNQYLLB-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.96
Rot. Bonds1

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

(1-methyl-2,3-dihydroindol-5-yl)hydrazine (PubChem CID 116997170) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (1-methyl-2,3-dihydroindol-5-yl)hydrazine.

Molecular Properties

Compound Name(1-methyl-2,3-dihydroindol-5-yl)hydrazine
PubChem CID116997170
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(1-methyl-2,3-dihydroindol-5-yl)hydrazine
SMILESCN1CCc2cc(NN)ccc21
InChIInChI=1S/C9H13N3/c1-12-5-4-7-6-8(11-10)2-3-9(7)12/h2-3,6,11H,4-5,10H2,1H3
InChIKeyDBGZYAXXNQYLLB-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-methyl-2,3-dihydroindol-5-amine
CID 82539913
1-methyl-N-naphthalen-2-yl-2,3-dihydroindol-5-amine
CID 82536270
5-bromo-1-methyl-2,3-dihydroindole
CID 19361435
3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol
CID 82539750
1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone
CID 82536649
N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine
CID 82537037
2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide
CID 110729318
2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 168523549
(2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide
CID 110837782
1-cyclopropyl-2-[(1-methyl-2,3-dihydroindol-5-yl)amino]ethanol
CID 165483721
3-(1-methyl-2,3-dihydroindol-5-yl)propan-1-amine
CID 62095510
1-methyl-2,3-dihydroindole-5-sulfonic acid
CID 57117417

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3-dihydroindol-5-yl)hydrazine?
The IUPAC name of (1-methyl-2,3-dihydroindol-5-yl)hydrazine (CID 116997170) is (1-methyl-2,3-dihydroindol-5-yl)hydrazine.
What is the SMILES notation for (1-methyl-2,3-dihydroindol-5-yl)hydrazine?
The canonical SMILES for (1-methyl-2,3-dihydroindol-5-yl)hydrazine is CN1CCc2cc(NN)ccc21.
What is the InChIKey of (1-methyl-2,3-dihydroindol-5-yl)hydrazine?
The InChIKey is DBGZYAXXNQYLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-12-5-4-7-6-8(11-10)2-3-9(7)12/h2-3,6,11H,4-5,10H2,1H3.
What are the key properties of (1-methyl-2,3-dihydroindol-5-yl)hydrazine?
(1-methyl-2,3-dihydroindol-5-yl)hydrazine has a molecular weight of 163.22 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,3-dihydroindol-5-yl)hydrazine is sourced from PubChem (CID 116997170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).