1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine

C13H18N2 — CID 105289620

IUPAC1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine
SMILESC=CCC(NN)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H18N2/c1-2-4-13(15-14)12-8-7-10-5-3-6-11(10)9-12/h2,7-9,13,15H,1,3-6,14H2
InChIKeyIHPMXJFZNFTLBE-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.26
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine

1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine (PubChem CID 105289620) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine
PubChem CID105289620
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine
SMILESC=CCC(NN)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H18N2/c1-2-4-13(15-14)12-8-7-10-5-3-6-11(10)9-12/h2,7-9,13,15H,1,3-6,14H2
InChIKeyIHPMXJFZNFTLBE-UHFFFAOYSA-N
XLogP2.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-N-propylbut-3-en-1-amine
CID 115814837
[2-(2,6-dichlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105293143
1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine
CID 104987476
[2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105294931
[2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105335217
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine
CID 105289523
[2-(3,4-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105330384
1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine
CID 105218181
[1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285057
1-phenylbut-3-enylhydrazine
CID 105199312
[2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105297972
[1-(2,3-dihydro-1H-inden-5-yl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308909

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine (CID 105289620) is 1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine is C=CCC(NN)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine?
The InChIKey is IHPMXJFZNFTLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-4-13(15-14)12-8-7-10-5-3-6-11(10)9-12/h2,7-9,13,15H,1,3-6,14H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine?
1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine has a molecular weight of 202.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine is sourced from PubChem (CID 105289620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).