N-[4-(2-methoxyphenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine

C12H15NO2 — CID 131843568

IUPACN-[4-(2-methoxyphenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine
SMILESCOc1ccccc1C=C(C)C(C)=NO
InChIInChI=1S/C12H15NO2/c1-9(10(2)13-14)8-11-6-4-5-7-12(11)15-3/h4-8,14H,1-3H3
InChIKeyFCKQYDAAORBSEF-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.95
Rot. Bonds3

About N-[4-(2-methoxyphenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine

N-[4-(2-methoxyphenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine (PubChem CID 131843568) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine
PubChem CID131843568
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-[4-(2-methoxyphenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine
SMILESCOc1ccccc1C=C(C)C(C)=NO
InChIInChI=1S/C12H15NO2/c1-9(10(2)13-14)8-11-6-4-5-7-12(11)15-3/h4-8,14H,1-3H3
InChIKeyFCKQYDAAORBSEF-UHFFFAOYSA-N
XLogP2.95
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.95
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

1-[(1E,3E)-2,3-diisocyano-4-(2-methoxyphenyl)buta-1,3-dienyl]-2-methoxybenzene
CID 86626449
3-(2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329267
1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene
CID 131589016
[2-(2-methoxyphenyl)-1-trimethylsilylethenyl]-trimethylsilane
CID 102296582
(2E,3E)-2,3-bis[(2-methoxyphenyl)methylidene]butanedial
CID 87977206
N-[(E)-1-(2-methoxyphenyl)prop-1-en-2-yl]acetamide
CID 102363599
methyl (2Z)-2-[(2-methoxyphenyl)methylidene]-3-oxobutanoate
CID 70489657
5-(dimethylamino)-1-(2-methoxyphenyl)-2,4-dimethylpent-1-en-3-one
CID 69340161
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
1-[(E)-2-fluorobut-1-en-3-ynyl]-2-methoxybenzene
CID 71504864
methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate
CID 10867868
(Z)-4-(2-methoxyphenyl)-3-nitrobut-3-en-2-one
CID 75539548

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine?
The IUPAC name of N-[4-(2-methoxyphenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine (CID 131843568) is N-[4-(2-methoxyphenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[4-(2-methoxyphenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine?
The canonical SMILES for N-[4-(2-methoxyphenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine is COc1ccccc1C=C(C)C(C)=NO.
What is the InChIKey of N-[4-(2-methoxyphenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine?
The InChIKey is FCKQYDAAORBSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(10(2)13-14)8-11-6-4-5-7-12(11)15-3/h4-8,14H,1-3H3.
What are the key properties of N-[4-(2-methoxyphenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine?
N-[4-(2-methoxyphenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine has a molecular weight of 205.26 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 131843568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).