(NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine

C12H14ClNO2 — CID 43823257

IUPAC(NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine
SMILESC=C(Cl)COc1ccccc1/C(CC)=N/O
InChIInChI=1S/C12H14ClNO2/c1-3-11(14-15)10-6-4-5-7-12(10)16-8-9(2)13/h4-7,15H,2-3,8H2,1H3/b14-11+
InChIKeyZHSMHMFGERMDGJ-SDNWHVSQSA-N
MW239.70 g/mol
LogP3.41
Rot. Bonds5

About (NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine

(NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine (PubChem CID 43823257) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is (NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine
PubChem CID43823257
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name(NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine
SMILESC=C(Cl)COc1ccccc1/C(CC)=N/O
InChIInChI=1S/C12H14ClNO2/c1-3-11(14-15)10-6-4-5-7-12(10)16-8-9(2)13/h4-7,15H,2-3,8H2,1H3/b14-11+
InChIKeyZHSMHMFGERMDGJ-SDNWHVSQSA-N
XLogP3.41
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 53.41
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'}

Analyze (NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide
CID 24704040
3-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]propane-1,2-diol
CID 82849492
(NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine
CID 54935980
(NE)-N-[1-(2-prop-2-ynoxyphenyl)propylidene]hydroxylamine
CID 24695847
N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide
CID 24689546
2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 24691151
(NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine
CID 43185548
2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 76905153
2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide
CID 76905167
5-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-2,2-dimethylpentanenitrile
CID 77063014
(NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 43185543
(NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine
CID 60893000

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine (CID 43823257) is (NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine is C=C(Cl)COc1ccccc1/C(CC)=N/O.
What is the InChIKey of (NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine?
The InChIKey is ZHSMHMFGERMDGJ-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-3-11(14-15)10-6-4-5-7-12(10)16-8-9(2)13/h4-7,15H,2-3,8H2,1H3/b14-11+.
What are the key properties of (NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine?
(NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine has a molecular weight of 239.70 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine is sourced from PubChem (CID 43823257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).