(NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine

C11H13NO2 — CID 155208974

IUPAC(NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine
SMILESCOc1ccc(/C(C)=C\C=N\O)cc1
InChIInChI=1S/C11H13NO2/c1-9(7-8-12-13)10-3-5-11(14-2)6-4-10/h3-8,13H,1-2H3/b9-7-,12-8+
InChIKeyRGDZIVYYTPOVAC-ZUQSVMQASA-N
MW191.23 g/mol
LogP2.56
Rot. Bonds3

About (NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine

(NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine (PubChem CID 155208974) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine
PubChem CID155208974
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine
SMILESCOc1ccc(/C(C)=C\C=N\O)cc1
InChIInChI=1S/C11H13NO2/c1-9(7-8-12-13)10-3-5-11(14-2)6-4-10/h3-8,13H,1-2H3/b9-7-,12-8+
InChIKeyRGDZIVYYTPOVAC-ZUQSVMQASA-N
XLogP2.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.56
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

N-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine
CID 142605464
(2E,4E)-5-(4-methoxyphenyl)hexa-2,4-dienoic acid
CID 14347285
5-(4-methoxyphenyl)hexa-2,4-dienoic acid
CID 54069539
2-(4-methoxyphenyl)prop-1-enylboronic acid
CID 174428256
1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene
CID 134934706
4-(4-methoxyphenyl)pent-3-en-1-amine
CID 76997387
(4E,6Z)-7-(4-methoxyphenyl)-3-methylocta-2,4,6-trienoic acid
CID 173292935
(Z)-3-(6-methoxynaphthalen-2-yl)but-2-enal
CID 42611332
methyl (E)-3-(4-methoxyphenyl)but-2-enoate
CID 11074539
(E)-5-(4-methoxyphenyl)hex-4-enoic acid
CID 82079765
1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene
CID 44604980
N-[1-[4-(4-methoxyphenyl)phenyl]ethylidene]hydroxylamine
CID 87865023

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine (CID 155208974) is (NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine is COc1ccc(/C(C)=C\C=N\O)cc1.
What is the InChIKey of (NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine?
The InChIKey is RGDZIVYYTPOVAC-ZUQSVMQASA-N. The full InChI is InChI=1S/C11H13NO2/c1-9(7-8-12-13)10-3-5-11(14-2)6-4-10/h3-8,13H,1-2H3/b9-7-,12-8+.
What are the key properties of (NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine?
(NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine has a molecular weight of 191.23 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine is sourced from PubChem (CID 155208974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).