(NE)-N-[4-[3-(2-methoxyethoxy)propoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine

C15H21NO4 — CID 103410043

IUPAC(NE)-N-[4-[3-(2-methoxyethoxy)propoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCOCCOCCCOc1cccc2c1CC/C2=N\O
InChIInChI=1S/C15H21NO4/c1-18-10-11-19-8-3-9-20-15-5-2-4-12-13(15)6-7-14(12)16-17/h2,4-5,17H,3,6-11H2,1H3/b16-14+
InChIKeyYIBYLOLAPHTRSR-JQIJEIRASA-N
MW279.34 g/mol
LogP2.24
Rot. Bonds8

About (NE)-N-[4-[3-(2-methoxyethoxy)propoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine

(NE)-N-[4-[3-(2-methoxyethoxy)propoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 103410043) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (NE)-N-[4-[3-(2-methoxyethoxy)propoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[4-[3-(2-methoxyethoxy)propoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID103410043
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(NE)-N-[4-[3-(2-methoxyethoxy)propoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCOCCOCCCOc1cccc2c1CC/C2=N\O
InChIInChI=1S/C15H21NO4/c1-18-10-11-19-8-3-9-20-15-5-2-4-12-13(15)6-7-14(12)16-17/h2,4-5,17H,3,6-11H2,1H3/b16-14+
InChIKeyYIBYLOLAPHTRSR-JQIJEIRASA-N
XLogP2.24
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methylsulfonylethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 76984535
N-[4-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 77020738
N-[4-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 76984647
6-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2,2-dimethylhexanenitrile
CID 106712514
1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol
CID 77067604
3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2-methylpropanamide
CID 55182024
N-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide
CID 76984578
4-(2-methoxyethoxy)-2,3-dihydroinden-1-one
CID 60705268
(NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 80696031
N-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77067678
(NZ)-N-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 103410031
N-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide
CID 76984645

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[4-[3-(2-methoxyethoxy)propoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[4-[3-(2-methoxyethoxy)propoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 103410043) is (NE)-N-[4-[3-(2-methoxyethoxy)propoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[4-[3-(2-methoxyethoxy)propoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[4-[3-(2-methoxyethoxy)propoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine is COCCOCCCOc1cccc2c1CC/C2=N\O.
What is the InChIKey of (NE)-N-[4-[3-(2-methoxyethoxy)propoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is YIBYLOLAPHTRSR-JQIJEIRASA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-10-11-19-8-3-9-20-15-5-2-4-12-13(15)6-7-14(12)16-17/h2,4-5,17H,3,6-11H2,1H3/b16-14+.
What are the key properties of (NE)-N-[4-[3-(2-methoxyethoxy)propoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NE)-N-[4-[3-(2-methoxyethoxy)propoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 279.34 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[4-[3-(2-methoxyethoxy)propoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 103410043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).