(NE)-N-[3-cyclopentyl-2-(3-nitrophenyl)cyclopent-2-en-1-ylidene]hydroxylamine

C16H18N2O3 — CID 11716172

IUPAC(NE)-N-[3-cyclopentyl-2-(3-nitrophenyl)cyclopent-2-en-1-ylidene]hydroxylamine
SMILESO=[N+]([O-])c1cccc(C2=C(C3CCCC3)CC/C2=N\O)c1
InChIInChI=1S/C16H18N2O3/c19-17-15-9-8-14(11-4-1-2-5-11)16(15)12-6-3-7-13(10-12)18(20)21/h3,6-7,10-11,19H,1-2,4-5,8-9H2/b17-15+
InChIKeyYGTQYWYDNWLACD-BMRADRMJSA-N
MW286.33 g/mol
LogP4.16
Rot. Bonds3

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

(NE)-N-[3-cyclopentyl-2-(3-nitrophenyl)cyclopent-2-en-1-ylidene]hydroxylamine (PubChem CID 11716172) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (NE)-N-[3-cyclopentyl-2-(3-nitrophenyl)cyclopent-2-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-cyclopentyl-2-(3-nitrophenyl)cyclopent-2-en-1-ylidene]hydroxylamine
PubChem CID11716172
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(NE)-N-[3-cyclopentyl-2-(3-nitrophenyl)cyclopent-2-en-1-ylidene]hydroxylamine
SMILESO=[N+]([O-])c1cccc(C2=C(C3CCCC3)CC/C2=N\O)c1
InChIInChI=1S/C16H18N2O3/c19-17-15-9-8-14(11-4-1-2-5-11)16(15)12-6-3-7-13(10-12)18(20)21/h3,6-7,10-11,19H,1-2,4-5,8-9H2/b17-15+
InChIKeyYGTQYWYDNWLACD-BMRADRMJSA-N
XLogP4.16
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-[3-cyclopentyl-2-(3-nitrophenyl)cyclopent-2-en-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-cyclopentyl-2-(3-nitrophenyl)cyclopent-2-en-1-ylidene]hydroxylamine (CID 11716172) is (NE)-N-[3-cyclopentyl-2-(3-nitrophenyl)cyclopent-2-en-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-cyclopentyl-2-(3-nitrophenyl)cyclopent-2-en-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-cyclopentyl-2-(3-nitrophenyl)cyclopent-2-en-1-ylidene]hydroxylamine is O=[N+]([O-])c1cccc(C2=C(C3CCCC3)CC/C2=N\O)c1.
What is the InChIKey of (NE)-N-[3-cyclopentyl-2-(3-nitrophenyl)cyclopent-2-en-1-ylidene]hydroxylamine?
The InChIKey is YGTQYWYDNWLACD-BMRADRMJSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-17-15-9-8-14(11-4-1-2-5-11)16(15)12-6-3-7-13(10-12)18(20)21/h3,6-7,10-11,19H,1-2,4-5,8-9H2/b17-15+.
What are the key properties of (NE)-N-[3-cyclopentyl-2-(3-nitrophenyl)cyclopent-2-en-1-ylidene]hydroxylamine?
(NE)-N-[3-cyclopentyl-2-(3-nitrophenyl)cyclopent-2-en-1-ylidene]hydroxylamine has a molecular weight of 286.33 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-cyclopentyl-2-(3-nitrophenyl)cyclopent-2-en-1-ylidene]hydroxylamine is sourced from PubChem (CID 11716172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).