(3E)-3-hydrazinylidene-1,2-dihydroinden-5-amine

C9H11N3 — CID 22797907

IUPAC(3E)-3-hydrazinylidene-1,2-dihydroinden-5-amine
SMILESN/N=C1\CCc2ccc(N)cc21
InChIInChI=1S/C9H11N3/c10-7-3-1-6-2-4-9(12-11)8(6)5-7/h1,3,5H,2,4,10-11H2/b12-9+
InChIKeyAODBNILOEIAUSS-FMIVXFBMSA-N
MW161.21 g/mol
LogP0.88
Rot. Bonds

About (3E)-3-hydrazinylidene-1,2-dihydroinden-5-amine

(3E)-3-hydrazinylidene-1,2-dihydroinden-5-amine (PubChem CID 22797907) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is (3E)-3-hydrazinylidene-1,2-dihydroinden-5-amine.

Molecular Properties

Compound Name(3E)-3-hydrazinylidene-1,2-dihydroinden-5-amine
PubChem CID22797907
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name(3E)-3-hydrazinylidene-1,2-dihydroinden-5-amine
SMILESN/N=C1\CCc2ccc(N)cc21
InChIInChI=1S/C9H11N3/c10-7-3-1-6-2-4-9(12-11)8(6)5-7/h1,3,5H,2,4,10-11H2/b12-9+
InChIKeyAODBNILOEIAUSS-FMIVXFBMSA-N
XLogP0.88
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Aminofluorene
CID 1539
2,7-Diaminofluorene
CID 10679
Fluoren-3-amine
CID 22818
4-Aminoindan
CID 122569
Indan-5-amine
CID 90496
2-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 24801040
9H-fluorene-2,7-diamine dihydrochloride
CID 3084159
CID 97211
CID 97211
2-(2,3-dihydro-1H-inden-5-yl)guanidine;hydrochloride
CID 52946615
9H-Fluorene-2,7-diamine monohydrochloride
CID 21245
9-Hydrazinylidenefluoren-2-amine
CID 241804
9-Diazofluoren-4-amine
CID 44417216

Frequently Asked Questions

What is the IUPAC name of (3E)-3-hydrazinylidene-1,2-dihydroinden-5-amine?
The IUPAC name of (3E)-3-hydrazinylidene-1,2-dihydroinden-5-amine (CID 22797907) is (3E)-3-hydrazinylidene-1,2-dihydroinden-5-amine.
What is the SMILES notation for (3E)-3-hydrazinylidene-1,2-dihydroinden-5-amine?
The canonical SMILES for (3E)-3-hydrazinylidene-1,2-dihydroinden-5-amine is N/N=C1\CCc2ccc(N)cc21.
What is the InChIKey of (3E)-3-hydrazinylidene-1,2-dihydroinden-5-amine?
The InChIKey is AODBNILOEIAUSS-FMIVXFBMSA-N. The full InChI is InChI=1S/C9H11N3/c10-7-3-1-6-2-4-9(12-11)8(6)5-7/h1,3,5H,2,4,10-11H2/b12-9+.
What are the key properties of (3E)-3-hydrazinylidene-1,2-dihydroinden-5-amine?
(3E)-3-hydrazinylidene-1,2-dihydroinden-5-amine has a molecular weight of 161.21 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-hydrazinylidene-1,2-dihydroinden-5-amine is sourced from PubChem (CID 22797907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).