(NZ)-N-[(1R,3S,4S)-3-benzyl-3-ethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

C16H21NO — CID 164833395

IUPAC(NZ)-N-[(1R,3S,4S)-3-benzyl-3-ethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESCC[C@@]1(Cc2ccccc2)/C(=N\O)[C@@H]2CC[C@H]1C2
InChIInChI=1S/C16H21NO/c1-2-16(11-12-6-4-3-5-7-12)14-9-8-13(10-14)15(16)17-18/h3-7,13-14,18H,2,8-11H2,1H3/b17-15-/t13-,14+,16+/m1/s1
InChIKeyIUJWNKJNNJGAIY-SWJWOYBASA-N
MW243.35 g/mol
LogP3.89
Rot. Bonds3

About (NZ)-N-[(1R,3S,4S)-3-benzyl-3-ethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

(NZ)-N-[(1R,3S,4S)-3-benzyl-3-ethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (PubChem CID 164833395) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (NZ)-N-[(1R,3S,4S)-3-benzyl-3-ethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1R,3S,4S)-3-benzyl-3-ethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
PubChem CID164833395
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(NZ)-N-[(1R,3S,4S)-3-benzyl-3-ethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESCC[C@@]1(Cc2ccccc2)/C(=N\O)[C@@H]2CC[C@H]1C2
InChIInChI=1S/C16H21NO/c1-2-16(11-12-6-4-3-5-7-12)14-9-8-13(10-14)15(16)17-18/h3-7,13-14,18H,2,8-11H2,1H3/b17-15-/t13-,14+,16+/m1/s1
InChIKeyIUJWNKJNNJGAIY-SWJWOYBASA-N
XLogP3.89
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (NZ)-N-[(1R,3S,4S)-3-benzyl-3-ethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1R,3S,4S)-3-benzyl-3-ethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (CID 164833395) is (NZ)-N-[(1R,3S,4S)-3-benzyl-3-ethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1R,3S,4S)-3-benzyl-3-ethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1R,3S,4S)-3-benzyl-3-ethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is CC[C@@]1(Cc2ccccc2)/C(=N\O)[C@@H]2CC[C@H]1C2.
What is the InChIKey of (NZ)-N-[(1R,3S,4S)-3-benzyl-3-ethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The InChIKey is IUJWNKJNNJGAIY-SWJWOYBASA-N. The full InChI is InChI=1S/C16H21NO/c1-2-16(11-12-6-4-3-5-7-12)14-9-8-13(10-14)15(16)17-18/h3-7,13-14,18H,2,8-11H2,1H3/b17-15-/t13-,14+,16+/m1/s1.
What are the key properties of (NZ)-N-[(1R,3S,4S)-3-benzyl-3-ethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
(NZ)-N-[(1R,3S,4S)-3-benzyl-3-ethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine has a molecular weight of 243.35 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1R,3S,4S)-3-benzyl-3-ethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is sourced from PubChem (CID 164833395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).