(NE)-N-(3-imidazol-1-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine

C12H11N3O2 — CID 19794645

IUPAC(NE)-N-(3-imidazol-1-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine
SMILESO/N=C1\c2ccccc2OCC1n1ccnc1
InChIInChI=1S/C12H11N3O2/c16-14-12-9-3-1-2-4-11(9)17-7-10(12)15-6-5-13-8-15/h1-6,8,10,16H,7H2/b14-12+
InChIKeyXNIOEJPXDHWIHV-WYMLVPIESA-N
MW229.24 g/mol
LogP1.70
Rot. Bonds1

About (NE)-N-(3-imidazol-1-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine

(NE)-N-(3-imidazol-1-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine (PubChem CID 19794645) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is (NE)-N-(3-imidazol-1-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-imidazol-1-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine
PubChem CID19794645
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name(NE)-N-(3-imidazol-1-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine
SMILESO/N=C1\c2ccccc2OCC1n1ccnc1
InChIInChI=1S/C12H11N3O2/c16-14-12-9-3-1-2-4-11(9)17-7-10(12)15-6-5-13-8-15/h1-6,8,10,16H,7H2/b14-12+
InChIKeyXNIOEJPXDHWIHV-WYMLVPIESA-N
XLogP1.70
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2-methoxyphenyl)(1-methyl-1H-imidazol-2-yl)methanol
CID 2870390
1-[2-(2-Methylphenoxy)ethyl]imidazole
CID 868346
2H-1-Benzopyran-2-one, 4-(1H-imidazol-1-ylmethyl)-
CID 11276192
1-[2-(2-allylphenoxy)ethyl]-1H-imidazole
CID 762621
1-[5-(2-Methylphenoxy)pentyl]imidazole
CID 3841658
1-{2-[4-(Benzyloxy)phenyl]ethyl}-1H-imidazole
CID 71421283
1-(7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-yl)imidazole
CID 122192360
(NZ)-N-[2-(4-chlorophenyl)-3-imidazol-1-yl-2,3-dihydrochromen-4-ylidene]hydroxylamine
CID 137645572
1-[4-(2-biphenylyloxy)butyl]-1H-imidazole
CID 4998739
4-[(1-methyl-1H-imidazol-2-yl)methoxy]benzaldehyde oxime
CID 9563204
1-(6-Methoxy-2H-1-benzopyran-3-yl)-1H-imidazole
CID 13284885
(1-ethyl-1H-imidazol-2-yl)(2-methoxyphenyl)methanol
CID 3131357

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(3-imidazol-1-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-imidazol-1-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine (CID 19794645) is (NE)-N-(3-imidazol-1-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-imidazol-1-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-imidazol-1-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine is O/N=C1\c2ccccc2OCC1n1ccnc1.
What is the InChIKey of (NE)-N-(3-imidazol-1-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The InChIKey is XNIOEJPXDHWIHV-WYMLVPIESA-N. The full InChI is InChI=1S/C12H11N3O2/c16-14-12-9-3-1-2-4-11(9)17-7-10(12)15-6-5-13-8-15/h1-6,8,10,16H,7H2/b14-12+.
What are the key properties of (NE)-N-(3-imidazol-1-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine?
(NE)-N-(3-imidazol-1-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine has a molecular weight of 229.24 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-imidazol-1-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine is sourced from PubChem (CID 19794645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).