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

C17H23NO2 — CID 77008800

IUPACN-[4-(2-ethylcyclohexyl)oxy-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCCC1CCCCC1Oc1cccc2c1CCC2=NO
InChIInChI=1S/C17H23NO2/c1-2-12-6-3-4-8-16(12)20-17-9-5-7-13-14(17)10-11-15(13)18-19/h5,7,9,12,16,19H,2-4,6,8,10-11H2,1H3
InChIKeyVZPWKKQPZHQZJW-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.16
Rot. Bonds3

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

N-[4-(2-ethylcyclohexyl)oxy-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 77008800) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[4-(2-ethylcyclohexyl)oxy-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-(2-ethylcyclohexyl)oxy-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID77008800
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[4-(2-ethylcyclohexyl)oxy-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCCC1CCCCC1Oc1cccc2c1CCC2=NO
InChIInChI=1S/C17H23NO2/c1-2-12-6-3-4-8-16(12)20-17-9-5-7-13-14(17)10-11-15(13)18-19/h5,7,9,12,16,19H,2-4,6,8,10-11H2,1H3
InChIKeyVZPWKKQPZHQZJW-UHFFFAOYSA-N
XLogP4.16
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.16
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-(2-ethylcyclohexyl)oxy-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of N-[4-(2-ethylcyclohexyl)oxy-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 77008800) is N-[4-(2-ethylcyclohexyl)oxy-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[4-(2-ethylcyclohexyl)oxy-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for N-[4-(2-ethylcyclohexyl)oxy-2,3-dihydroinden-1-ylidene]hydroxylamine is CCC1CCCCC1Oc1cccc2c1CCC2=NO.
What is the InChIKey of N-[4-(2-ethylcyclohexyl)oxy-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is VZPWKKQPZHQZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-12-6-3-4-8-16(12)20-17-9-5-7-13-14(17)10-11-15(13)18-19/h5,7,9,12,16,19H,2-4,6,8,10-11H2,1H3.
What are the key properties of N-[4-(2-ethylcyclohexyl)oxy-2,3-dihydroinden-1-ylidene]hydroxylamine?
N-[4-(2-ethylcyclohexyl)oxy-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 273.38 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylcyclohexyl)oxy-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 77008800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).