(NE)-N-[2-(3,4-difluorophenyl)-3-(2-methylpropyl)cyclopent-2-en-1-ylidene]hydroxylamine

C15H17F2NO — CID 11615932

IUPAC(NE)-N-[2-(3,4-difluorophenyl)-3-(2-methylpropyl)cyclopent-2-en-1-ylidene]hydroxylamine
SMILESCC(C)CC1=C(c2ccc(F)c(F)c2)/C(=N/O)CC1
InChIInChI=1S/C15H17F2NO/c1-9(2)7-10-4-6-14(18-19)15(10)11-3-5-12(16)13(17)8-11/h3,5,8-9,19H,4,6-7H2,1-2H3/b18-14+
InChIKeyGJLUIPLTIJOIHW-NBVRZTHBSA-N
MW265.30 g/mol
LogP4.39
Rot. Bonds3

About (NE)-N-[2-(3,4-difluorophenyl)-3-(2-methylpropyl)cyclopent-2-en-1-ylidene]hydroxylamine

(NE)-N-[2-(3,4-difluorophenyl)-3-(2-methylpropyl)cyclopent-2-en-1-ylidene]hydroxylamine (PubChem CID 11615932) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is (NE)-N-[2-(3,4-difluorophenyl)-3-(2-methylpropyl)cyclopent-2-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(3,4-difluorophenyl)-3-(2-methylpropyl)cyclopent-2-en-1-ylidene]hydroxylamine
PubChem CID11615932
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Name(NE)-N-[2-(3,4-difluorophenyl)-3-(2-methylpropyl)cyclopent-2-en-1-ylidene]hydroxylamine
SMILESCC(C)CC1=C(c2ccc(F)c(F)c2)/C(=N/O)CC1
InChIInChI=1S/C15H17F2NO/c1-9(2)7-10-4-6-14(18-19)15(10)11-3-5-12(16)13(17)8-11/h3,5,8-9,19H,4,6-7H2,1-2H3/b18-14+
InChIKeyGJLUIPLTIJOIHW-NBVRZTHBSA-N
XLogP4.39
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 54.39
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-(3,4-difluorophenyl)-3-(2-methylpropyl)cyclopent-2-en-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(3,4-difluorophenyl)-3-(2-methylpropyl)cyclopent-2-en-1-ylidene]hydroxylamine (CID 11615932) is (NE)-N-[2-(3,4-difluorophenyl)-3-(2-methylpropyl)cyclopent-2-en-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(3,4-difluorophenyl)-3-(2-methylpropyl)cyclopent-2-en-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(3,4-difluorophenyl)-3-(2-methylpropyl)cyclopent-2-en-1-ylidene]hydroxylamine is CC(C)CC1=C(c2ccc(F)c(F)c2)/C(=N/O)CC1.
What is the InChIKey of (NE)-N-[2-(3,4-difluorophenyl)-3-(2-methylpropyl)cyclopent-2-en-1-ylidene]hydroxylamine?
The InChIKey is GJLUIPLTIJOIHW-NBVRZTHBSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-9(2)7-10-4-6-14(18-19)15(10)11-3-5-12(16)13(17)8-11/h3,5,8-9,19H,4,6-7H2,1-2H3/b18-14+.
What are the key properties of (NE)-N-[2-(3,4-difluorophenyl)-3-(2-methylpropyl)cyclopent-2-en-1-ylidene]hydroxylamine?
(NE)-N-[2-(3,4-difluorophenyl)-3-(2-methylpropyl)cyclopent-2-en-1-ylidene]hydroxylamine has a molecular weight of 265.30 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(3,4-difluorophenyl)-3-(2-methylpropyl)cyclopent-2-en-1-ylidene]hydroxylamine is sourced from PubChem (CID 11615932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).