(NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine

C13H17NO3 — CID 87204181

IUPAC(NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cccc(/C=N/O)c1OC1CCCC1
InChIInChI=1S/C13H17NO3/c1-16-12-8-4-5-10(9-14-15)13(12)17-11-6-2-3-7-11/h4-5,8-9,11,15H,2-3,6-7H2,1H3/b14-9+
InChIKeyRRFMKKNSJDOKLB-NTEUORMPSA-N
MW235.28 g/mol
LogP2.82
Rot. Bonds4

About (NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine

(NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine (PubChem CID 87204181) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine
PubChem CID87204181
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cccc(/C=N/O)c1OC1CCCC1
InChIInChI=1S/C13H17NO3/c1-16-12-8-4-5-10(9-14-15)13(12)17-11-6-2-3-7-11/h4-5,8-9,11,15H,2-3,6-7H2,1H3/b14-9+
InChIKeyRRFMKKNSJDOKLB-NTEUORMPSA-N
XLogP2.82
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.82
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

3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enoyl azide
CID 91053667
(E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
CID 117338371
(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 23722991
2-cyclopentyloxy-3-methoxybenzonitrile
CID 117309455
1-bromo-2-cyclobutyloxy-3-methoxybenzene
CID 84709057
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
(NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 10104391
[2-(chloromethyl)-6-methoxyphenoxy]cycloheptane
CID 82927927
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
CID 22682151

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine (CID 87204181) is (NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine is COc1cccc(/C=N/O)c1OC1CCCC1.
What is the InChIKey of (NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine?
The InChIKey is RRFMKKNSJDOKLB-NTEUORMPSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-12-8-4-5-10(9-14-15)13(12)17-11-6-2-3-7-11/h4-5,8-9,11,15H,2-3,6-7H2,1H3/b14-9+.
What are the key properties of (NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine has a molecular weight of 235.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 87204181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).