(NE)-N-(2-methyl-3-phenylchromen-4-ylidene)hydroxylamine

C16H13NO2 — CID 13196582

IUPAC(NE)-N-(2-methyl-3-phenylchromen-4-ylidene)hydroxylamine
SMILESCc1oc2ccccc2/c(=N\O)c1-c1ccccc1
InChIInChI=1S/C16H13NO2/c1-11-15(12-7-3-2-4-8-12)16(17-18)13-9-5-6-10-14(13)19-11/h2-10,18H,1H3/b17-16+
InChIKeyGNCVWQULNSKRCK-WUKNDPDISA-N
MW251.29 g/mol
LogP3.70
Rot. Bonds1

About (NE)-N-(2-methyl-3-phenylchromen-4-ylidene)hydroxylamine

(NE)-N-(2-methyl-3-phenylchromen-4-ylidene)hydroxylamine (PubChem CID 13196582) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (NE)-N-(2-methyl-3-phenylchromen-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-methyl-3-phenylchromen-4-ylidene)hydroxylamine
PubChem CID13196582
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name(NE)-N-(2-methyl-3-phenylchromen-4-ylidene)hydroxylamine
SMILESCc1oc2ccccc2/c(=N\O)c1-c1ccccc1
InChIInChI=1S/C16H13NO2/c1-11-15(12-7-3-2-4-8-12)16(17-18)13-9-5-6-10-14(13)19-11/h2-10,18H,1H3/b17-16+
InChIKeyGNCVWQULNSKRCK-WUKNDPDISA-N
XLogP3.70
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-(2-methyl-3-phenylchromen-4-ylidene)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

(NE)-N-(2,3-dimethylchromen-4-ylidene)hydroxylamine
CID 13062910
4-(2-methyl-1-benzofuran-3-yl)aniline
CID 116987369
N,4-dimethyl-3-phenylchromen-2-imine
CID 101413189
[4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine
CID 116987372
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
CID 59413465
CID 59413465
N-chromeno[2,3-c]pyridin-5-ylidenehydroxylamine
CID 137205389
3-phenyl-1-benzofuran-2-carboxylic acid
CID 13432338
9-methyl-10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one
CID 707799
4-methyl-2-(2-methyl-1-benzofuran-3-yl)phenol
CID 174914291
3-acetyl-4-phenylchromen-2-one
CID 56965161
2-(2-methyl-1-benzofuran-3-yl)-1H-imidazole
CID 70052082

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2-methyl-3-phenylchromen-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-methyl-3-phenylchromen-4-ylidene)hydroxylamine (CID 13196582) is (NE)-N-(2-methyl-3-phenylchromen-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-methyl-3-phenylchromen-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-methyl-3-phenylchromen-4-ylidene)hydroxylamine is Cc1oc2ccccc2/c(=N\O)c1-c1ccccc1.
What is the InChIKey of (NE)-N-(2-methyl-3-phenylchromen-4-ylidene)hydroxylamine?
The InChIKey is GNCVWQULNSKRCK-WUKNDPDISA-N. The full InChI is InChI=1S/C16H13NO2/c1-11-15(12-7-3-2-4-8-12)16(17-18)13-9-5-6-10-14(13)19-11/h2-10,18H,1H3/b17-16+.
What are the key properties of (NE)-N-(2-methyl-3-phenylchromen-4-ylidene)hydroxylamine?
(NE)-N-(2-methyl-3-phenylchromen-4-ylidene)hydroxylamine has a molecular weight of 251.29 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-methyl-3-phenylchromen-4-ylidene)hydroxylamine is sourced from PubChem (CID 13196582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).