(NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine

C15H19NO3 — CID 10106724

IUPAC(NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine
SMILESCOc1ccc(/C=C/C=N\O)cc1OC1CCCC1
InChIInChI=1S/C15H19NO3/c1-18-14-9-8-12(5-4-10-16-17)11-15(14)19-13-6-2-3-7-13/h4-5,8-11,13,17H,2-3,6-7H2,1H3/b5-4+,16-10-
InChIKeyALBFUTJILNBNJB-PUSVMIJTSA-N
MW261.32 g/mol
LogP3.49
Rot. Bonds5

About (NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine

(NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine (PubChem CID 10106724) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine
PubChem CID10106724
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine
SMILESCOc1ccc(/C=C/C=N\O)cc1OC1CCCC1
InChIInChI=1S/C15H19NO3/c1-18-14-9-8-12(5-4-10-16-17)11-15(14)19-13-6-2-3-7-13/h4-5,8-11,13,17H,2-3,6-7H2,1H3/b5-4+,16-10-
InChIKeyALBFUTJILNBNJB-PUSVMIJTSA-N
XLogP3.49
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.49
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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Related Compounds

2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene
CID 89146119
[4-[(E,3E)-3-hydroxyiminoprop-1-enyl]-2-methoxyphenyl] acetate
CID 14578558
(E)-3-(4-cyclopentyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 43147789
2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide
CID 58241283
(E)-3-(4-cyclobutyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 138464982
1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine
CID 54551418
bromocyclopentane;3-cyclopentyloxy-4-methoxybenzaldehyde;3-hydroxy-4-methoxybenzaldehyde;hydroiodide
CID 158018950
2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid
CID 44541745
ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate
CID 11462803
2-cyclopentyloxy-4-iodo-1-methoxybenzene
CID 11197924
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
(Z)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylprop-2-enenitrile
CID 67598126

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine (CID 10106724) is (NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine is COc1ccc(/C=C/C=N\O)cc1OC1CCCC1.
What is the InChIKey of (NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine?
The InChIKey is ALBFUTJILNBNJB-PUSVMIJTSA-N. The full InChI is InChI=1S/C15H19NO3/c1-18-14-9-8-12(5-4-10-16-17)11-15(14)19-13-6-2-3-7-13/h4-5,8-11,13,17H,2-3,6-7H2,1H3/b5-4+,16-10-.
What are the key properties of (NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine?
(NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine has a molecular weight of 261.32 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine is sourced from PubChem (CID 10106724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).