(NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine

C16H21NO — CID 142575074

IUPAC(NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine
SMILESCC(C)(C)c1ccc(C2=C(/C=N/O)CCC2)cc1
InChIInChI=1S/C16H21NO/c1-16(2,3)14-9-7-12(8-10-14)15-6-4-5-13(15)11-17-18/h7-11,18H,4-6H2,1-3H3/b17-11+
InChIKeyCOFCSPZVSJMCBF-GZTJUZNOSA-N
MW243.35 g/mol
LogP4.38
Rot. Bonds2

About (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine

(NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine (PubChem CID 142575074) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine
PubChem CID142575074
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine
SMILESCC(C)(C)c1ccc(C2=C(/C=N/O)CCC2)cc1
InChIInChI=1S/C16H21NO/c1-16(2,3)14-9-7-12(8-10-14)15-6-4-5-13(15)11-17-18/h7-11,18H,4-6H2,1-3H3/b17-11+
InChIKeyCOFCSPZVSJMCBF-GZTJUZNOSA-N
XLogP4.38
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.38
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 (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine (CID 142575074) is (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine is CC(C)(C)c1ccc(C2=C(/C=N/O)CCC2)cc1.
What is the InChIKey of (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine?
The InChIKey is COFCSPZVSJMCBF-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H21NO/c1-16(2,3)14-9-7-12(8-10-14)15-6-4-5-13(15)11-17-18/h7-11,18H,4-6H2,1-3H3/b17-11+.
What are the key properties of (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine?
(NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine has a molecular weight of 243.35 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 142575074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).