N-[1-(2,6-dimethylmorpholin-4-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine

C15H20N2O2 — CID 5203468

IUPACN-[1-(2,6-dimethylmorpholin-4-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine
SMILESCC1CN(C2C(=NO)Cc3ccccc32)CC(C)O1
InChIInChI=1S/C15H20N2O2/c1-10-8-17(9-11(2)19-10)15-13-6-4-3-5-12(13)7-14(15)16-18/h3-6,10-11,15,18H,7-9H2,1-2H3
InChIKeyPTLJUPIMAYRXCX-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.22
Rot. Bonds1

About N-[1-(2,6-dimethylmorpholin-4-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine

N-[1-(2,6-dimethylmorpholin-4-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine (PubChem CID 5203468) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[1-(2,6-dimethylmorpholin-4-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2,6-dimethylmorpholin-4-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine
PubChem CID5203468
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[1-(2,6-dimethylmorpholin-4-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine
SMILESCC1CN(C2C(=NO)Cc3ccccc32)CC(C)O1
InChIInChI=1S/C15H20N2O2/c1-10-8-17(9-11(2)19-10)15-13-6-4-3-5-12(13)7-14(15)16-18/h3-6,10-11,15,18H,7-9H2,1-2H3
InChIKeyPTLJUPIMAYRXCX-UHFFFAOYSA-N
XLogP2.22
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.22
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-[1-(2,6-dimethylmorpholin-4-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine?
The IUPAC name of N-[1-(2,6-dimethylmorpholin-4-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine (CID 5203468) is N-[1-(2,6-dimethylmorpholin-4-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2,6-dimethylmorpholin-4-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(2,6-dimethylmorpholin-4-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine is CC1CN(C2C(=NO)Cc3ccccc32)CC(C)O1.
What is the InChIKey of N-[1-(2,6-dimethylmorpholin-4-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine?
The InChIKey is PTLJUPIMAYRXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-8-17(9-11(2)19-10)15-13-6-4-3-5-12(13)7-14(15)16-18/h3-6,10-11,15,18H,7-9H2,1-2H3.
What are the key properties of N-[1-(2,6-dimethylmorpholin-4-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine?
N-[1-(2,6-dimethylmorpholin-4-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine has a molecular weight of 260.34 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylmorpholin-4-yl)-1,3-dihydroinden-2-ylidene]hydroxylamine is sourced from PubChem (CID 5203468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).