N-[4-(pyridin-2-ylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine

C15H14N2O2 — CID 76984542

IUPACN-[4-(pyridin-2-ylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESON=C1CCc2c(OCc3ccccn3)cccc21
InChIInChI=1S/C15H14N2O2/c18-17-14-8-7-13-12(14)5-3-6-15(13)19-10-11-4-1-2-9-16-11/h1-6,9,18H,7-8,10H2
InChIKeyVBSXHZVTTWMKGV-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.79
Rot. Bonds3

About N-[4-(pyridin-2-ylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine

N-[4-(pyridin-2-ylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 76984542) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[4-(pyridin-2-ylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-(pyridin-2-ylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID76984542
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-[4-(pyridin-2-ylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESON=C1CCc2c(OCc3ccccn3)cccc21
InChIInChI=1S/C15H14N2O2/c18-17-14-8-7-13-12(14)5-3-6-15(13)19-10-11-4-1-2-9-16-11/h1-6,9,18H,7-8,10H2
InChIKeyVBSXHZVTTWMKGV-UHFFFAOYSA-N
XLogP2.79
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.79
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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Related Compounds

N-[4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 77098726
1-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxymethyl]cyclohexan-1-ol
CID 77060370
N-[5-[(2-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77067697
N-[4-(2-methylsulfonylethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 76984535
6-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2,2-dimethylhexanenitrile
CID 106712514
3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2-methylpropanamide
CID 55182024
(1Z)-1-hydroxyimino-2,3-dihydroinden-4-ol
CID 91619297
2-(pyridin-2-ylmethoxy)benzenethiol
CID 146174195
N-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide
CID 76984645
N-[5-[2-(trifluoromethoxy)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77100333
N-[5-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77067727
N-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide
CID 76984578

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-2-ylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of N-[4-(pyridin-2-ylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 76984542) is N-[4-(pyridin-2-ylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[4-(pyridin-2-ylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for N-[4-(pyridin-2-ylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine is ON=C1CCc2c(OCc3ccccn3)cccc21.
What is the InChIKey of N-[4-(pyridin-2-ylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is VBSXHZVTTWMKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-17-14-8-7-13-12(14)5-3-6-15(13)19-10-11-4-1-2-9-16-11/h1-6,9,18H,7-8,10H2.
What are the key properties of N-[4-(pyridin-2-ylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine?
N-[4-(pyridin-2-ylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 254.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-2-ylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 76984542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).