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

C17H17NO3 — CID 5395862

IUPAC(NZ)-N-[4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine
SMILESC/C(CCc1oc2ccccc2c1-c1ccc(C)o1)=N/O
InChIInChI=1S/C17H17NO3/c1-11(18-19)7-9-16-17(15-10-8-12(2)20-15)13-5-3-4-6-14(13)21-16/h3-6,8,10,19H,7,9H2,1-2H3/b18-11-
InChIKeyGJFMVXPJVLELAJ-WQRHYEAKSA-N
MW283.33 g/mol
LogP4.78
Rot. Bonds4

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

(NZ)-N-[4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine (PubChem CID 5395862) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (NZ)-N-[4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine
PubChem CID5395862
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(NZ)-N-[4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine
SMILESC/C(CCc1oc2ccccc2c1-c1ccc(C)o1)=N/O
InChIInChI=1S/C17H17NO3/c1-11(18-19)7-9-16-17(15-10-8-12(2)20-15)13-5-3-4-6-14(13)21-16/h3-6,8,10,19H,7,9H2,1-2H3/b18-11-
InChIKeyGJFMVXPJVLELAJ-WQRHYEAKSA-N
XLogP4.78
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.78
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 (NZ)-N-[4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine (CID 5395862) is (NZ)-N-[4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine is C/C(CCc1oc2ccccc2c1-c1ccc(C)o1)=N/O.
What is the InChIKey of (NZ)-N-[4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine?
The InChIKey is GJFMVXPJVLELAJ-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11(18-19)7-9-16-17(15-10-8-12(2)20-15)13-5-3-4-6-14(13)21-16/h3-6,8,10,19H,7,9H2,1-2H3/b18-11-.
What are the key properties of (NZ)-N-[4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine?
(NZ)-N-[4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine has a molecular weight of 283.33 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 5395862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).