[2-(4-bromothiophen-2-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine

C11H17BrN2OS — CID 105250920

IUPAC[2-(4-bromothiophen-2-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine
SMILESCC1(C(Cc2cc(Br)cs2)NN)CCCO1
InChIInChI=1S/C11H17BrN2OS/c1-11(3-2-4-15-11)10(14-13)6-9-5-8(12)7-16-9/h5,7,10,14H,2-4,6,13H2,1H3
InChIKeyXBPZQXCMOACJDP-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.45
Rot. Bonds4

About [2-(4-bromothiophen-2-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine

[2-(4-bromothiophen-2-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine (PubChem CID 105250920) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is [2-(4-bromothiophen-2-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromothiophen-2-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine
PubChem CID105250920
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name[2-(4-bromothiophen-2-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine
SMILESCC1(C(Cc2cc(Br)cs2)NN)CCCO1
InChIInChI=1S/C11H17BrN2OS/c1-11(3-2-4-15-11)10(14-13)6-9-5-8(12)7-16-9/h5,7,10,14H,2-4,6,13H2,1H3
InChIKeyXBPZQXCMOACJDP-UHFFFAOYSA-N
XLogP2.45
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-bromothiophen-2-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromothiophen-2-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine (CID 105250920) is [2-(4-bromothiophen-2-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromothiophen-2-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromothiophen-2-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine is CC1(C(Cc2cc(Br)cs2)NN)CCCO1.
What is the InChIKey of [2-(4-bromothiophen-2-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine?
The InChIKey is XBPZQXCMOACJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-11(3-2-4-15-11)10(14-13)6-9-5-8(12)7-16-9/h5,7,10,14H,2-4,6,13H2,1H3.
What are the key properties of [2-(4-bromothiophen-2-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine?
[2-(4-bromothiophen-2-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine has a molecular weight of 305.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromothiophen-2-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105250920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).