1-(3,4-dihydro-2H-chromen-3-yl)but-3-enylhydrazine

C13H18N2O — CID 105234005

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)but-3-enylhydrazine
SMILESC=CCC(NN)C1COc2ccccc2C1
InChIInChI=1S/C13H18N2O/c1-2-5-12(15-14)11-8-10-6-3-4-7-13(10)16-9-11/h2-4,6-7,11-12,15H,1,5,8-9,14H2
InChIKeyWFSCXROVKWLLTO-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.65
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-3-yl)but-3-enylhydrazine

1-(3,4-dihydro-2H-chromen-3-yl)but-3-enylhydrazine (PubChem CID 105234005) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)but-3-enylhydrazine
PubChem CID105234005
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)but-3-enylhydrazine
SMILESC=CCC(NN)C1COc2ccccc2C1
InChIInChI=1S/C13H18N2O/c1-2-5-12(15-14)11-8-10-6-3-4-7-13(10)16-9-11/h2-4,6-7,11-12,15H,1,5,8-9,14H2
InChIKeyWFSCXROVKWLLTO-UHFFFAOYSA-N
XLogP1.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine
CID 65412063
[2-cyclobutyl-1-(3,4-dihydro-2H-chromen-3-yl)ethyl]hydrazine
CID 105234000
1-(3,4-dihydro-2H-chromen-3-yl)hexylhydrazine
CID 105234038
1-(3,4-dihydro-2H-chromen-3-yl)nonylhydrazine
CID 105233938
[cyclohexyl(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
CID 105233964
[1-(3,4-dihydro-2H-chromen-3-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105234006
[3,4-dihydro-2H-chromen-3-yl(thiophen-2-yl)methyl]hydrazine
CID 105233943
[3,4-dihydro-2H-chromen-3-yl(thiophen-3-yl)methyl]hydrazine
CID 105233912
[(2,6-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
CID 105233931
[(3,5-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
CID 105234024
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-phenylethanamine
CID 65410502
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine
CID 65410110

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)but-3-enylhydrazine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)but-3-enylhydrazine (CID 105234005) is 1-(3,4-dihydro-2H-chromen-3-yl)but-3-enylhydrazine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)but-3-enylhydrazine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)but-3-enylhydrazine is C=CCC(NN)C1COc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)but-3-enylhydrazine?
The InChIKey is WFSCXROVKWLLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-5-12(15-14)11-8-10-6-3-4-7-13(10)16-9-11/h2-4,6-7,11-12,15H,1,5,8-9,14H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)but-3-enylhydrazine?
1-(3,4-dihydro-2H-chromen-3-yl)but-3-enylhydrazine has a molecular weight of 218.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-yl)but-3-enylhydrazine is sourced from PubChem (CID 105234005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).