(NE)-N-[(2-prop-1-en-2-ylphenyl)methylidene]hydroxylamine

C10H11NO — CID 23635566

IUPAC(NE)-N-[(2-prop-1-en-2-ylphenyl)methylidene]hydroxylamine
SMILESC=C(C)c1ccccc1/C=N/O
InChIInChI=1S/C10H11NO/c1-8(2)10-6-4-3-5-9(10)7-11-12/h3-7,12H,1H2,2H3/b11-7+
InChIKeyLTLUFUYDAHYJBR-YRNVUSSQSA-N
MW161.20 g/mol
LogP2.53
Rot. Bonds2

About (NE)-N-[(2-prop-1-en-2-ylphenyl)methylidene]hydroxylamine

(NE)-N-[(2-prop-1-en-2-ylphenyl)methylidene]hydroxylamine (PubChem CID 23635566) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (NE)-N-[(2-prop-1-en-2-ylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-prop-1-en-2-ylphenyl)methylidene]hydroxylamine
PubChem CID23635566
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(NE)-N-[(2-prop-1-en-2-ylphenyl)methylidene]hydroxylamine
SMILESC=C(C)c1ccccc1/C=N/O
InChIInChI=1S/C10H11NO/c1-8(2)10-6-4-3-5-9(10)7-11-12/h3-7,12H,1H2,2H3/b11-7+
InChIKeyLTLUFUYDAHYJBR-YRNVUSSQSA-N
XLogP2.53
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(Z)-(2-prop-1-en-2-ylphenyl)methylidenehydrazine
CID 89147003
ethane;bis(1-ethenyl-2-prop-1-en-2-ylbenzene)
CID 144540747
ethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane
CID 143293542
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
copper 2-[(E)-hydroxyiminomethyl]phenol
CID 135422084
cobalt;bis(2-(hydroxyiminomethyl)phenol)
CID 158420458
(NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine
CID 15033296
1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
N-[(2-bromophenyl)methylidene]hydroxylamine
CID 736214
(NZ)-N-[(2-bromophenyl)methylidene]hydroxylamine
CID 5399039
sodium;hydride;2-[(Z)-hydroxyiminomethyl]phenol
CID 173437393

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-prop-1-en-2-ylphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-prop-1-en-2-ylphenyl)methylidene]hydroxylamine (CID 23635566) is (NE)-N-[(2-prop-1-en-2-ylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-prop-1-en-2-ylphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-prop-1-en-2-ylphenyl)methylidene]hydroxylamine is C=C(C)c1ccccc1/C=N/O.
What is the InChIKey of (NE)-N-[(2-prop-1-en-2-ylphenyl)methylidene]hydroxylamine?
The InChIKey is LTLUFUYDAHYJBR-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H11NO/c1-8(2)10-6-4-3-5-9(10)7-11-12/h3-7,12H,1H2,2H3/b11-7+.
What are the key properties of (NE)-N-[(2-prop-1-en-2-ylphenyl)methylidene]hydroxylamine?
(NE)-N-[(2-prop-1-en-2-ylphenyl)methylidene]hydroxylamine has a molecular weight of 161.20 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-prop-1-en-2-ylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 23635566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).