(NE)-N-[(8-phenylmethoxy-2H-chromen-3-yl)methylidene]hydroxylamine

C17H15NO3 — CID 10588898

IUPAC(NE)-N-[(8-phenylmethoxy-2H-chromen-3-yl)methylidene]hydroxylamine
SMILESO/N=C/C1=Cc2cccc(OCc3ccccc3)c2OC1
InChIInChI=1S/C17H15NO3/c19-18-10-14-9-15-7-4-8-16(17(15)21-12-14)20-11-13-5-2-1-3-6-13/h1-10,19H,11-12H2/b18-10+
InChIKeyUYZNYJJYRLYADP-VCHYOVAHSA-N
MW281.31 g/mol
LogP3.50
Rot. Bonds4

About (NE)-N-[(8-phenylmethoxy-2H-chromen-3-yl)methylidene]hydroxylamine

(NE)-N-[(8-phenylmethoxy-2H-chromen-3-yl)methylidene]hydroxylamine (PubChem CID 10588898) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is (NE)-N-[(8-phenylmethoxy-2H-chromen-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(8-phenylmethoxy-2H-chromen-3-yl)methylidene]hydroxylamine
PubChem CID10588898
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name(NE)-N-[(8-phenylmethoxy-2H-chromen-3-yl)methylidene]hydroxylamine
SMILESO/N=C/C1=Cc2cccc(OCc3ccccc3)c2OC1
InChIInChI=1S/C17H15NO3/c19-18-10-14-9-15-7-4-8-16(17(15)21-12-14)20-11-13-5-2-1-3-6-13/h1-10,19H,11-12H2/b18-10+
InChIKeyUYZNYJJYRLYADP-VCHYOVAHSA-N
XLogP3.50
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.50
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'}

Analyze (NE)-N-[(8-phenylmethoxy-2H-chromen-3-yl)methylidene]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

8-phenylmethoxy-2H-chromene-3-carbaldehyde
CID 10611787
N-[(7-phenylmethoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine
CID 85289014
4-phenylmethoxy-1,3-benzodioxole
CID 14180566
2-(4-oxo-8-phenylmethoxychromen-3-ylidene)acetic acid
CID 139756012
(8-ethoxy-2H-chromen-3-yl)methanol
CID 103351446
(4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 99499848
(NE)-N-[(7-phenoxy-1H-inden-2-yl)methylidene]hydroxylamine
CID 10729424
N-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 798181
N-[(2-phenylmethoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 807879
(2-phenylmethoxyphenyl)methylidenehydrazine
CID 78678885
(NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 42200980
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(8-phenylmethoxy-2H-chromen-3-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(8-phenylmethoxy-2H-chromen-3-yl)methylidene]hydroxylamine (CID 10588898) is (NE)-N-[(8-phenylmethoxy-2H-chromen-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(8-phenylmethoxy-2H-chromen-3-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(8-phenylmethoxy-2H-chromen-3-yl)methylidene]hydroxylamine is O/N=C/C1=Cc2cccc(OCc3ccccc3)c2OC1.
What is the InChIKey of (NE)-N-[(8-phenylmethoxy-2H-chromen-3-yl)methylidene]hydroxylamine?
The InChIKey is UYZNYJJYRLYADP-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15NO3/c19-18-10-14-9-15-7-4-8-16(17(15)21-12-14)20-11-13-5-2-1-3-6-13/h1-10,19H,11-12H2/b18-10+.
What are the key properties of (NE)-N-[(8-phenylmethoxy-2H-chromen-3-yl)methylidene]hydroxylamine?
(NE)-N-[(8-phenylmethoxy-2H-chromen-3-yl)methylidene]hydroxylamine has a molecular weight of 281.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(8-phenylmethoxy-2H-chromen-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 10588898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).