3-hydroxy-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide

C18H13N3O6 — CID 71086806

IUPAC3-hydroxy-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide
SMILESO=C(C=Cc1ccc([N+](=O)[O-])o1)NNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C18H13N3O6/c22-15-10-12-4-2-1-3-11(12)9-14(15)18(24)20-19-16(23)7-5-13-6-8-17(27-13)21(25)26/h1-10,22H,(H,19,23)(H,20,24)
InChIKeyAIKMRUILKBFKCP-UHFFFAOYSA-N
MW367.32 g/mol
LogP2.52
Rot. Bonds4

About 3-hydroxy-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide

3-hydroxy-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide (PubChem CID 71086806) has the molecular formula C18H13N3O6 and a molecular weight of 367.32 g/mol. Its IUPAC name is 3-hydroxy-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide.

Molecular Properties

Compound Name3-hydroxy-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide
PubChem CID71086806
Molecular FormulaC18H13N3O6
Molecular Weight367.32 g/mol
Exact Mass367.08
IUPAC Name3-hydroxy-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide
SMILESO=C(C=Cc1ccc([N+](=O)[O-])o1)NNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C18H13N3O6/c22-15-10-12-4-2-1-3-11(12)9-14(15)18(24)20-19-16(23)7-5-13-6-8-17(27-13)21(25)26/h1-10,22H,(H,19,23)(H,20,24)
InChIKeyAIKMRUILKBFKCP-UHFFFAOYSA-N
XLogP2.52
TPSA134.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide
CID 5411990
4-ethyl-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]benzohydrazide
CID 9088099
N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 9092558
3-(5-nitrofuran-2-yl)prop-2-enoate
CID 3423261
2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 707922
1-[(4-fluorophenyl)methyl]-3-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]thiourea
CID 8943041
(E)-N'-benzyl-3-(5-nitrofuran-2-yl)-N'-phenylprop-2-enehydrazide
CID 9075562
(E)-N-(2,4-difluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 7039893
(2S)-2-(2,3-dimethylphenoxy)-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]propanehydrazide
CID 9088847
4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate
CID 7034789
2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid
CID 969323
2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 909150

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide?
The IUPAC name of 3-hydroxy-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide (CID 71086806) is 3-hydroxy-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide.
What is the SMILES notation for 3-hydroxy-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide?
The canonical SMILES for 3-hydroxy-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide is O=C(C=Cc1ccc([N+](=O)[O-])o1)NNC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide?
The InChIKey is AIKMRUILKBFKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O6/c22-15-10-12-4-2-1-3-11(12)9-14(15)18(24)20-19-16(23)7-5-13-6-8-17(27-13)21(25)26/h1-10,22H,(H,19,23)(H,20,24).
What are the key properties of 3-hydroxy-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide?
3-hydroxy-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide has a molecular weight of 367.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N'-[3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide is sourced from PubChem (CID 71086806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).