(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine

C15H17NO — CID 142575040

IUPAC(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine
SMILESCc1ccc(/C=C/C2=C(/C=N/O)CCC2)cc1
InChIInChI=1S/C15H17NO/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(14)11-16-17/h5-11,17H,2-4H2,1H3/b10-9+,16-11+
InChIKeyHMYUURWDYOCWKV-AKYRVGECSA-N
MW227.31 g/mol
LogP3.95
Rot. Bonds3

About (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine

(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine (PubChem CID 142575040) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine
PubChem CID142575040
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine
SMILESCc1ccc(/C=C/C2=C(/C=N/O)CCC2)cc1
InChIInChI=1S/C15H17NO/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(14)11-16-17/h5-11,17H,2-4H2,1H3/b10-9+,16-11+
InChIKeyHMYUURWDYOCWKV-AKYRVGECSA-N
XLogP3.95
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.95
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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine (CID 142575040) is (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine is Cc1ccc(/C=C/C2=C(/C=N/O)CCC2)cc1.
What is the InChIKey of (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine?
The InChIKey is HMYUURWDYOCWKV-AKYRVGECSA-N. The full InChI is InChI=1S/C15H17NO/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(14)11-16-17/h5-11,17H,2-4H2,1H3/b10-9+,16-11+.
What are the key properties of (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine?
(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine has a molecular weight of 227.31 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 142575040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).