(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine

C10H13NO2 — CID 13182701

IUPAC(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
SMILESCC/C(=N\O)c1ccc(OC)cc1
InChIInChI=1S/C10H13NO2/c1-3-10(11-12)8-4-6-9(13-2)7-5-8/h4-7,12H,3H2,1-2H3/b11-10+
InChIKeyVKCMJUNNJYMGAC-ZHACJKMWSA-N
MW179.22 g/mol
LogP2.28
Rot. Bonds3

About (NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine

(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine (PubChem CID 13182701) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
PubChem CID13182701
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
SMILESCC/C(=N\O)c1ccc(OC)cc1
InChIInChI=1S/C10H13NO2/c1-3-10(11-12)8-4-6-9(13-2)7-5-8/h4-7,12H,3H2,1-2H3/b11-10+
InChIKeyVKCMJUNNJYMGAC-ZHACJKMWSA-N
XLogP2.28
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.28
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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Related Compounds

(NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5402606
N-[1-(3-methoxyphenyl)propylidene]hydroxylamine
CID 159100892
N-[1-(4-methylphenyl)propylidene]hydroxylamine
CID 7174004
4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenol
CID 135629232
(NE)-N-[1-(4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 10060245
1-[4-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-3-methoxypropan-2-ol
CID 77013431
(NZ)-N-[1-(4-methoxyphenyl)-2-(propan-2-ylamino)ethylidene]hydroxylamine
CID 56668464
N-[1-(4-chlorophenyl)propylidene]hydroxylamine
CID 74054167
(NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine
CID 112589710
(NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine
CID 115514140
N-[1-[4-(cyclopentylmethoxy)phenyl]propylidene]hydroxylamine
CID 61342447
(NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 24698943

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine (CID 13182701) is (NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine is CC/C(=N\O)c1ccc(OC)cc1.
What is the InChIKey of (NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine?
The InChIKey is VKCMJUNNJYMGAC-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-10(11-12)8-4-6-9(13-2)7-5-8/h4-7,12H,3H2,1-2H3/b11-10+.
What are the key properties of (NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine?
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine has a molecular weight of 179.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine is sourced from PubChem (CID 13182701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).