(NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine

C12H15NO3 — CID 134891354

IUPAC(NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine
SMILESC/C=C/c1cc(OC)c(OC)cc1/C=N/O
InChIInChI=1S/C12H15NO3/c1-4-5-9-6-11(15-2)12(16-3)7-10(9)8-13-14/h4-8,14H,1-3H3/b5-4+,13-8+
InChIKeyJJYCSFKZNWICLY-VDXACTLNSA-N
MW221.26 g/mol
LogP2.55
Rot. Bonds4

About (NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine

(NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine (PubChem CID 134891354) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine
PubChem CID134891354
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine
SMILESC/C=C/c1cc(OC)c(OC)cc1/C=N/O
InChIInChI=1S/C12H15NO3/c1-4-5-9-6-11(15-2)12(16-3)7-10(9)8-13-14/h4-8,14H,1-3H3/b5-4+,13-8+
InChIKeyJJYCSFKZNWICLY-VDXACTLNSA-N
XLogP2.55
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine (CID 134891354) is (NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine is C/C=C/c1cc(OC)c(OC)cc1/C=N/O.
What is the InChIKey of (NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine?
The InChIKey is JJYCSFKZNWICLY-VDXACTLNSA-N. The full InChI is InChI=1S/C12H15NO3/c1-4-5-9-6-11(15-2)12(16-3)7-10(9)8-13-14/h4-8,14H,1-3H3/b5-4+,13-8+.
What are the key properties of (NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine?
(NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine has a molecular weight of 221.26 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 134891354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).