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

C16H17F2NO — CID 11550859

IUPAC(NE)-N-[3-cyclopentyl-2-(3,4-difluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine
SMILESO/N=C1\CCC(C2CCCC2)=C1c1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2NO/c17-13-7-5-11(9-14(13)18)16-12(6-8-15(16)19-20)10-3-1-2-4-10/h5,7,9-10,20H,1-4,6,8H2/b19-15+
InChIKeyMNDOWZLATURQIP-XDJHFCHBSA-N
MW277.31 g/mol
LogP4.53
Rot. Bonds2

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

(NE)-N-[3-cyclopentyl-2-(3,4-difluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine (PubChem CID 11550859) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is (NE)-N-[3-cyclopentyl-2-(3,4-difluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-cyclopentyl-2-(3,4-difluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine
PubChem CID11550859
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name(NE)-N-[3-cyclopentyl-2-(3,4-difluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine
SMILESO/N=C1\CCC(C2CCCC2)=C1c1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2NO/c17-13-7-5-11(9-14(13)18)16-12(6-8-15(16)19-20)10-3-1-2-4-10/h5,7,9-10,20H,1-4,6,8H2/b19-15+
InChIKeyMNDOWZLATURQIP-XDJHFCHBSA-N
XLogP4.53
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.53
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'}

Analyze (NE)-N-[3-cyclopentyl-2-(3,4-difluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[3-cyclopentyl-2-(3,4-difluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-cyclopentyl-2-(3,4-difluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine (CID 11550859) is (NE)-N-[3-cyclopentyl-2-(3,4-difluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-cyclopentyl-2-(3,4-difluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-cyclopentyl-2-(3,4-difluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine is O/N=C1\CCC(C2CCCC2)=C1c1ccc(F)c(F)c1.
What is the InChIKey of (NE)-N-[3-cyclopentyl-2-(3,4-difluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine?
The InChIKey is MNDOWZLATURQIP-XDJHFCHBSA-N. The full InChI is InChI=1S/C16H17F2NO/c17-13-7-5-11(9-14(13)18)16-12(6-8-15(16)19-20)10-3-1-2-4-10/h5,7,9-10,20H,1-4,6,8H2/b19-15+.
What are the key properties of (NE)-N-[3-cyclopentyl-2-(3,4-difluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine?
(NE)-N-[3-cyclopentyl-2-(3,4-difluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine has a molecular weight of 277.31 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-cyclopentyl-2-(3,4-difluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine is sourced from PubChem (CID 11550859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).