(NE)-N-[2-(1,3-benzodioxol-5-yl)-3-cyclopentylcyclopent-2-en-1-ylidene]hydroxylamine

C17H19NO3 — CID 11587302

IUPAC(NE)-N-[2-(1,3-benzodioxol-5-yl)-3-cyclopentylcyclopent-2-en-1-ylidene]hydroxylamine
SMILESO/N=C1\CCC(C2CCCC2)=C1c1ccc2c(c1)OCO2
InChIInChI=1S/C17H19NO3/c19-18-14-7-6-13(11-3-1-2-4-11)17(14)12-5-8-15-16(9-12)21-10-20-15/h5,8-9,11,19H,1-4,6-7,10H2/b18-14+
InChIKeyMMAUSJFVJCPIPA-NBVRZTHBSA-N
MW285.34 g/mol
LogP3.98
Rot. Bonds2

About (NE)-N-[2-(1,3-benzodioxol-5-yl)-3-cyclopentylcyclopent-2-en-1-ylidene]hydroxylamine

(NE)-N-[2-(1,3-benzodioxol-5-yl)-3-cyclopentylcyclopent-2-en-1-ylidene]hydroxylamine (PubChem CID 11587302) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (NE)-N-[2-(1,3-benzodioxol-5-yl)-3-cyclopentylcyclopent-2-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(1,3-benzodioxol-5-yl)-3-cyclopentylcyclopent-2-en-1-ylidene]hydroxylamine
PubChem CID11587302
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(NE)-N-[2-(1,3-benzodioxol-5-yl)-3-cyclopentylcyclopent-2-en-1-ylidene]hydroxylamine
SMILESO/N=C1\CCC(C2CCCC2)=C1c1ccc2c(c1)OCO2
InChIInChI=1S/C17H19NO3/c19-18-14-7-6-13(11-3-1-2-4-11)17(14)12-5-8-15-16(9-12)21-10-20-15/h5,8-9,11,19H,1-4,6-7,10H2/b18-14+
InChIKeyMMAUSJFVJCPIPA-NBVRZTHBSA-N
XLogP3.98
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.98
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-[2-(1,3-benzodioxol-5-yl)-3-cyclopentylcyclopent-2-en-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(1,3-benzodioxol-5-yl)-3-cyclopentylcyclopent-2-en-1-ylidene]hydroxylamine (CID 11587302) is (NE)-N-[2-(1,3-benzodioxol-5-yl)-3-cyclopentylcyclopent-2-en-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(1,3-benzodioxol-5-yl)-3-cyclopentylcyclopent-2-en-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(1,3-benzodioxol-5-yl)-3-cyclopentylcyclopent-2-en-1-ylidene]hydroxylamine is O/N=C1\CCC(C2CCCC2)=C1c1ccc2c(c1)OCO2.
What is the InChIKey of (NE)-N-[2-(1,3-benzodioxol-5-yl)-3-cyclopentylcyclopent-2-en-1-ylidene]hydroxylamine?
The InChIKey is MMAUSJFVJCPIPA-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H19NO3/c19-18-14-7-6-13(11-3-1-2-4-11)17(14)12-5-8-15-16(9-12)21-10-20-15/h5,8-9,11,19H,1-4,6-7,10H2/b18-14+.
What are the key properties of (NE)-N-[2-(1,3-benzodioxol-5-yl)-3-cyclopentylcyclopent-2-en-1-ylidene]hydroxylamine?
(NE)-N-[2-(1,3-benzodioxol-5-yl)-3-cyclopentylcyclopent-2-en-1-ylidene]hydroxylamine has a molecular weight of 285.34 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(1,3-benzodioxol-5-yl)-3-cyclopentylcyclopent-2-en-1-ylidene]hydroxylamine is sourced from PubChem (CID 11587302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).