N-[1-(1-benzothiophen-2-yl)ethyl]-N-prop-1-en-2-ylhydroxylamine

C13H15NOS — CID 123478866

IUPACN-[1-(1-benzothiophen-2-yl)ethyl]-N-prop-1-en-2-ylhydroxylamine
SMILESC=C(C)N(O)C(C)c1cc2ccccc2s1
InChIInChI=1S/C13H15NOS/c1-9(2)14(15)10(3)13-8-11-6-4-5-7-12(11)16-13/h4-8,10,15H,1H2,2-3H3
InChIKeyNSPHXOYBNMEERF-UHFFFAOYSA-N
MW233.34 g/mol
LogP4.19
Rot. Bonds3

About N-[1-(1-benzothiophen-2-yl)ethyl]-N-prop-1-en-2-ylhydroxylamine

N-[1-(1-benzothiophen-2-yl)ethyl]-N-prop-1-en-2-ylhydroxylamine (PubChem CID 123478866) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-2-yl)ethyl]-N-prop-1-en-2-ylhydroxylamine.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-2-yl)ethyl]-N-prop-1-en-2-ylhydroxylamine
PubChem CID123478866
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC NameN-[1-(1-benzothiophen-2-yl)ethyl]-N-prop-1-en-2-ylhydroxylamine
SMILESC=C(C)N(O)C(C)c1cc2ccccc2s1
InChIInChI=1S/C13H15NOS/c1-9(2)14(15)10(3)13-8-11-6-4-5-7-12(11)16-13/h4-8,10,15H,1H2,2-3H3
InChIKeyNSPHXOYBNMEERF-UHFFFAOYSA-N
XLogP4.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-N-prop-1-en-2-ylhydroxylamine?
The IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-N-prop-1-en-2-ylhydroxylamine (CID 123478866) is N-[1-(1-benzothiophen-2-yl)ethyl]-N-prop-1-en-2-ylhydroxylamine.
What is the SMILES notation for N-[1-(1-benzothiophen-2-yl)ethyl]-N-prop-1-en-2-ylhydroxylamine?
The canonical SMILES for N-[1-(1-benzothiophen-2-yl)ethyl]-N-prop-1-en-2-ylhydroxylamine is C=C(C)N(O)C(C)c1cc2ccccc2s1.
What is the InChIKey of N-[1-(1-benzothiophen-2-yl)ethyl]-N-prop-1-en-2-ylhydroxylamine?
The InChIKey is NSPHXOYBNMEERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9(2)14(15)10(3)13-8-11-6-4-5-7-12(11)16-13/h4-8,10,15H,1H2,2-3H3.
What are the key properties of N-[1-(1-benzothiophen-2-yl)ethyl]-N-prop-1-en-2-ylhydroxylamine?
N-[1-(1-benzothiophen-2-yl)ethyl]-N-prop-1-en-2-ylhydroxylamine has a molecular weight of 233.34 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-2-yl)ethyl]-N-prop-1-en-2-ylhydroxylamine is sourced from PubChem (CID 123478866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).