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

C18H23NO3 — CID 11580304

IUPAC(NE)-N-[3-cyclopentyl-2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-ylidene]hydroxylamine
SMILESCOc1ccc(C2=C(C3CCCC3)CC/C2=N\O)cc1OC
InChIInChI=1S/C18H23NO3/c1-21-16-10-7-13(11-17(16)22-2)18-14(8-9-15(18)19-20)12-5-3-4-6-12/h7,10-12,20H,3-6,8-9H2,1-2H3/b19-15+
InChIKeyRCZAAIFEVZRDKZ-XDJHFCHBSA-N
MW301.39 g/mol
LogP4.27
Rot. Bonds4

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

(NE)-N-[3-cyclopentyl-2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-ylidene]hydroxylamine (PubChem CID 11580304) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (NE)-N-[3-cyclopentyl-2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-cyclopentyl-2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-ylidene]hydroxylamine
PubChem CID11580304
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(NE)-N-[3-cyclopentyl-2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-ylidene]hydroxylamine
SMILESCOc1ccc(C2=C(C3CCCC3)CC/C2=N\O)cc1OC
InChIInChI=1S/C18H23NO3/c1-21-16-10-7-13(11-17(16)22-2)18-14(8-9-15(18)19-20)12-5-3-4-6-12/h7,10-12,20H,3-6,8-9H2,1-2H3/b19-15+
InChIKeyRCZAAIFEVZRDKZ-XDJHFCHBSA-N
XLogP4.27
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-cyclopentyl-2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-cyclopentyl-2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-ylidene]hydroxylamine (CID 11580304) is (NE)-N-[3-cyclopentyl-2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-cyclopentyl-2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-cyclopentyl-2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-ylidene]hydroxylamine is COc1ccc(C2=C(C3CCCC3)CC/C2=N\O)cc1OC.
What is the InChIKey of (NE)-N-[3-cyclopentyl-2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-ylidene]hydroxylamine?
The InChIKey is RCZAAIFEVZRDKZ-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H23NO3/c1-21-16-10-7-13(11-17(16)22-2)18-14(8-9-15(18)19-20)12-5-3-4-6-12/h7,10-12,20H,3-6,8-9H2,1-2H3/b19-15+.
What are the key properties of (NE)-N-[3-cyclopentyl-2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-ylidene]hydroxylamine?
(NE)-N-[3-cyclopentyl-2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-ylidene]hydroxylamine has a molecular weight of 301.39 g/mol, XLogP of 4.27, 4 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-(3,4-dimethoxyphenyl)cyclopent-2-en-1-ylidene]hydroxylamine is sourced from PubChem (CID 11580304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).