(NE)-N-[4-[5-methyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine

C18H19NO3 — CID 5341793

IUPAC(NE)-N-[4-[5-methyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine
SMILESC/C(CCc1oc2ccc(C)cc2c1-c1ccc(C)o1)=N\O
InChIInChI=1S/C18H19NO3/c1-11-4-7-15-14(10-11)18(16-9-6-13(3)21-16)17(22-15)8-5-12(2)19-20/h4,6-7,9-10,20H,5,8H2,1-3H3/b19-12+
InChIKeyHFLLIKTTYLBGTQ-XDHOZWIPSA-N
MW297.35 g/mol
LogP5.09
Rot. Bonds4

About (NE)-N-[4-[5-methyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine

(NE)-N-[4-[5-methyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine (PubChem CID 5341793) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (NE)-N-[4-[5-methyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[4-[5-methyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine
PubChem CID5341793
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(NE)-N-[4-[5-methyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine
SMILESC/C(CCc1oc2ccc(C)cc2c1-c1ccc(C)o1)=N\O
InChIInChI=1S/C18H19NO3/c1-11-4-7-15-14(10-11)18(16-9-6-13(3)21-16)17(22-15)8-5-12(2)19-20/h4,6-7,9-10,20H,5,8H2,1-3H3/b19-12+
InChIKeyHFLLIKTTYLBGTQ-XDHOZWIPSA-N
XLogP5.09
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.35
LogP ≤ 55.09
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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[4-[5-methyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[4-[5-methyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine (CID 5341793) is (NE)-N-[4-[5-methyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[4-[5-methyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[4-[5-methyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine is C/C(CCc1oc2ccc(C)cc2c1-c1ccc(C)o1)=N\O.
What is the InChIKey of (NE)-N-[4-[5-methyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine?
The InChIKey is HFLLIKTTYLBGTQ-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H19NO3/c1-11-4-7-15-14(10-11)18(16-9-6-13(3)21-16)17(22-15)8-5-12(2)19-20/h4,6-7,9-10,20H,5,8H2,1-3H3/b19-12+.
What are the key properties of (NE)-N-[4-[5-methyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine?
(NE)-N-[4-[5-methyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine has a molecular weight of 297.35 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[4-[5-methyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 5341793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).