(NE)-N-[[2-[(E)-2-(3-methoxyphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine

C15H17NO2 — CID 142575063

IUPAC(NE)-N-[[2-[(E)-2-(3-methoxyphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine
SMILESCOc1cccc(/C=C/C2=C(/C=N/O)CCC2)c1
InChIInChI=1S/C15H17NO2/c1-18-15-7-2-4-12(10-15)8-9-13-5-3-6-14(13)11-16-17/h2,4,7-11,17H,3,5-6H2,1H3/b9-8+,16-11+
InChIKeyWHWILEGIKLOKBV-CEKJNPHKSA-N
MW243.31 g/mol
LogP3.65
Rot. Bonds4

About (NE)-N-[[2-[(E)-2-(3-methoxyphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine

(NE)-N-[[2-[(E)-2-(3-methoxyphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine (PubChem CID 142575063) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (NE)-N-[[2-[(E)-2-(3-methoxyphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-[(E)-2-(3-methoxyphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine
PubChem CID142575063
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(NE)-N-[[2-[(E)-2-(3-methoxyphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine
SMILESCOc1cccc(/C=C/C2=C(/C=N/O)CCC2)c1
InChIInChI=1S/C15H17NO2/c1-18-15-7-2-4-12(10-15)8-9-13-5-3-6-14(13)11-16-17/h2,4,7-11,17H,3,5-6H2,1H3/b9-8+,16-11+
InChIKeyWHWILEGIKLOKBV-CEKJNPHKSA-N
XLogP3.65
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-2-(3-methoxyphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-[(E)-2-(3-methoxyphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine (CID 142575063) is (NE)-N-[[2-[(E)-2-(3-methoxyphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-[(E)-2-(3-methoxyphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-[(E)-2-(3-methoxyphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine is COc1cccc(/C=C/C2=C(/C=N/O)CCC2)c1.
What is the InChIKey of (NE)-N-[[2-[(E)-2-(3-methoxyphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine?
The InChIKey is WHWILEGIKLOKBV-CEKJNPHKSA-N. The full InChI is InChI=1S/C15H17NO2/c1-18-15-7-2-4-12(10-15)8-9-13-5-3-6-14(13)11-16-17/h2,4,7-11,17H,3,5-6H2,1H3/b9-8+,16-11+.
What are the key properties of (NE)-N-[[2-[(E)-2-(3-methoxyphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine?
(NE)-N-[[2-[(E)-2-(3-methoxyphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine has a molecular weight of 243.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-[(E)-2-(3-methoxyphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 142575063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).