N-[4-[(5-ethylthiophen-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine

C16H17NO2S — CID 76984565

IUPACN-[4-[(5-ethylthiophen-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCCc1ccc(COc2cccc3c2CCC3=NO)s1
InChIInChI=1S/C16H17NO2S/c1-2-11-6-7-12(20-11)10-19-16-5-3-4-13-14(16)8-9-15(13)17-18/h3-7,18H,2,8-10H2,1H3
InChIKeyIMENFMVTOOMCOF-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.01
Rot. Bonds4

About N-[4-[(5-ethylthiophen-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine

N-[4-[(5-ethylthiophen-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 76984565) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[4-[(5-ethylthiophen-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-[(5-ethylthiophen-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID76984565
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-[4-[(5-ethylthiophen-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCCc1ccc(COc2cccc3c2CCC3=NO)s1
InChIInChI=1S/C16H17NO2S/c1-2-11-6-7-12(20-11)10-19-16-5-3-4-13-14(16)8-9-15(13)17-18/h3-7,18H,2,8-10H2,1H3
InChIKeyIMENFMVTOOMCOF-UHFFFAOYSA-N
XLogP4.01
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N-[4-[(5-ethylthiophen-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of N-[4-[(5-ethylthiophen-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 76984565) is N-[4-[(5-ethylthiophen-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[4-[(5-ethylthiophen-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for N-[4-[(5-ethylthiophen-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine is CCc1ccc(COc2cccc3c2CCC3=NO)s1.
What is the InChIKey of N-[4-[(5-ethylthiophen-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is IMENFMVTOOMCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-2-11-6-7-12(20-11)10-19-16-5-3-4-13-14(16)8-9-15(13)17-18/h3-7,18H,2,8-10H2,1H3.
What are the key properties of N-[4-[(5-ethylthiophen-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine?
N-[4-[(5-ethylthiophen-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 287.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-ethylthiophen-2-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 76984565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).