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

C13H15NO2 — CID 76984647

IUPACN-[4-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESON=C1CCc2c(OCC3CC3)cccc21
InChIInChI=1S/C13H15NO2/c15-14-12-7-6-11-10(12)2-1-3-13(11)16-8-9-4-5-9/h1-3,9,15H,4-8H2
InChIKeyNYJOWGHNRZOFDG-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.60
Rot. Bonds3

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

N-[4-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 76984647) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[4-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID76984647
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-[4-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESON=C1CCc2c(OCC3CC3)cccc21
InChIInChI=1S/C13H15NO2/c15-14-12-7-6-11-10(12)2-1-3-13(11)16-8-9-4-5-9/h1-3,9,15H,4-8H2
InChIKeyNYJOWGHNRZOFDG-UHFFFAOYSA-N
XLogP2.60
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of N-[4-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 76984647) is N-[4-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[4-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for N-[4-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine is ON=C1CCc2c(OCC3CC3)cccc21.
What is the InChIKey of N-[4-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is NYJOWGHNRZOFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-14-12-7-6-11-10(12)2-1-3-13(11)16-8-9-4-5-9/h1-3,9,15H,4-8H2.
What are the key properties of N-[4-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine?
N-[4-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 217.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 76984647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).