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

C16H19F2NO — CID 11623281

IUPAC(NE)-N-[2-(3,4-difluorophenyl)-3-pentylcyclopent-2-en-1-ylidene]hydroxylamine
SMILESCCCCCC1=C(c2ccc(F)c(F)c2)/C(=N/O)CC1
InChIInChI=1S/C16H19F2NO/c1-2-3-4-5-11-7-9-15(19-20)16(11)12-6-8-13(17)14(18)10-12/h6,8,10,20H,2-5,7,9H2,1H3/b19-15+
InChIKeyWZZZZCCJZCXJGR-XDJHFCHBSA-N
MW279.33 g/mol
LogP4.92
Rot. Bonds5

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

(NE)-N-[2-(3,4-difluorophenyl)-3-pentylcyclopent-2-en-1-ylidene]hydroxylamine (PubChem CID 11623281) has the molecular formula C16H19F2NO and a molecular weight of 279.33 g/mol. Its IUPAC name is (NE)-N-[2-(3,4-difluorophenyl)-3-pentylcyclopent-2-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(3,4-difluorophenyl)-3-pentylcyclopent-2-en-1-ylidene]hydroxylamine
PubChem CID11623281
Molecular FormulaC16H19F2NO
Molecular Weight279.33 g/mol
Exact Mass279.14
IUPAC Name(NE)-N-[2-(3,4-difluorophenyl)-3-pentylcyclopent-2-en-1-ylidene]hydroxylamine
SMILESCCCCCC1=C(c2ccc(F)c(F)c2)/C(=N/O)CC1
InChIInChI=1S/C16H19F2NO/c1-2-3-4-5-11-7-9-15(19-20)16(11)12-6-8-13(17)14(18)10-12/h6,8,10,20H,2-5,7,9H2,1H3/b19-15+
InChIKeyWZZZZCCJZCXJGR-XDJHFCHBSA-N
XLogP4.92
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-(3,4-difluorophenyl)-3-pentylcyclopent-2-en-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(3,4-difluorophenyl)-3-pentylcyclopent-2-en-1-ylidene]hydroxylamine (CID 11623281) is (NE)-N-[2-(3,4-difluorophenyl)-3-pentylcyclopent-2-en-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(3,4-difluorophenyl)-3-pentylcyclopent-2-en-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(3,4-difluorophenyl)-3-pentylcyclopent-2-en-1-ylidene]hydroxylamine is CCCCCC1=C(c2ccc(F)c(F)c2)/C(=N/O)CC1.
What is the InChIKey of (NE)-N-[2-(3,4-difluorophenyl)-3-pentylcyclopent-2-en-1-ylidene]hydroxylamine?
The InChIKey is WZZZZCCJZCXJGR-XDJHFCHBSA-N. The full InChI is InChI=1S/C16H19F2NO/c1-2-3-4-5-11-7-9-15(19-20)16(11)12-6-8-13(17)14(18)10-12/h6,8,10,20H,2-5,7,9H2,1H3/b19-15+.
What are the key properties of (NE)-N-[2-(3,4-difluorophenyl)-3-pentylcyclopent-2-en-1-ylidene]hydroxylamine?
(NE)-N-[2-(3,4-difluorophenyl)-3-pentylcyclopent-2-en-1-ylidene]hydroxylamine has a molecular weight of 279.33 g/mol, XLogP of 4.92, 5 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-pentylcyclopent-2-en-1-ylidene]hydroxylamine is sourced from PubChem (CID 11623281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).