(NE)-N-[(1-aminobenzo[e][1]benzofuran-2-yl)-phenylmethylidene]hydroxylamine

C19H14N2O2 — CID 10924651

IUPAC(NE)-N-[(1-aminobenzo[e][1]benzofuran-2-yl)-phenylmethylidene]hydroxylamine
SMILESNc1c(/C(=N/O)c2ccccc2)oc2ccc3ccccc3c12
InChIInChI=1S/C19H14N2O2/c20-17-16-14-9-5-4-6-12(14)10-11-15(16)23-19(17)18(21-22)13-7-2-1-3-8-13/h1-11,22H,20H2/b21-18+
InChIKeyUFBOFMSBRBAMOZ-DYTRJAOYSA-N
MW302.33 g/mol
LogP4.39
Rot. Bonds2

About (NE)-N-[(1-aminobenzo[e][1]benzofuran-2-yl)-phenylmethylidene]hydroxylamine

(NE)-N-[(1-aminobenzo[e][1]benzofuran-2-yl)-phenylmethylidene]hydroxylamine (PubChem CID 10924651) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is (NE)-N-[(1-aminobenzo[e][1]benzofuran-2-yl)-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1-aminobenzo[e][1]benzofuran-2-yl)-phenylmethylidene]hydroxylamine
PubChem CID10924651
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name(NE)-N-[(1-aminobenzo[e][1]benzofuran-2-yl)-phenylmethylidene]hydroxylamine
SMILESNc1c(/C(=N/O)c2ccccc2)oc2ccc3ccccc3c12
InChIInChI=1S/C19H14N2O2/c20-17-16-14-9-5-4-6-12(14)10-11-15(16)23-19(17)18(21-22)13-7-2-1-3-8-13/h1-11,22H,20H2/b21-18+
InChIKeyUFBOFMSBRBAMOZ-DYTRJAOYSA-N
XLogP4.39
TPSA71.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.39
H-Bond Donors ≤ 52
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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Related Compounds

(NE)-N-[(3-amino-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine
CID 13211252
12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-5-amine
CID 176729847
22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 178088617
16-oxaheptacyclo[15.12.0.02,15.03,12.04,9.018,27.019,24]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18(27),19,21,23,25,28-tetradecaene
CID 118131021
N-[1-(3-amino-1-benzofuran-2-yl)ethylidene]hydroxylamine
CID 71319911
1-acetamidobenzo[e][1]benzofuran-2-carboxamide
CID 23148944
benzo[c]phenanthrene;tris(triphenylene)
CID 157372160
N-[1,3-benzoxazol-2-yl(phenyl)methylidene]hydroxylamine
CID 137201316
(NE)-N-[(1-aminonaphthalen-2-yl)methylidene]hydroxylamine
CID 15261160
3-aminobenzo[g][1]benzofuran-2-carboxylic acid
CID 174973228
N-(dinaphthalen-1-ylmethylidene)hydroxylamine
CID 88653107
7-oxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,9,12,15,17,19,21-decaen-6-one
CID 101416325

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1-aminobenzo[e][1]benzofuran-2-yl)-phenylmethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1-aminobenzo[e][1]benzofuran-2-yl)-phenylmethylidene]hydroxylamine (CID 10924651) is (NE)-N-[(1-aminobenzo[e][1]benzofuran-2-yl)-phenylmethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1-aminobenzo[e][1]benzofuran-2-yl)-phenylmethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1-aminobenzo[e][1]benzofuran-2-yl)-phenylmethylidene]hydroxylamine is Nc1c(/C(=N/O)c2ccccc2)oc2ccc3ccccc3c12.
What is the InChIKey of (NE)-N-[(1-aminobenzo[e][1]benzofuran-2-yl)-phenylmethylidene]hydroxylamine?
The InChIKey is UFBOFMSBRBAMOZ-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c20-17-16-14-9-5-4-6-12(14)10-11-15(16)23-19(17)18(21-22)13-7-2-1-3-8-13/h1-11,22H,20H2/b21-18+.
What are the key properties of (NE)-N-[(1-aminobenzo[e][1]benzofuran-2-yl)-phenylmethylidene]hydroxylamine?
(NE)-N-[(1-aminobenzo[e][1]benzofuran-2-yl)-phenylmethylidene]hydroxylamine has a molecular weight of 302.33 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1-aminobenzo[e][1]benzofuran-2-yl)-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 10924651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).