3-hydroxy-N'-(3-phenylprop-2-enoyl)naphthalene-2-carbohydrazide

C20H16N2O3 — CID 583133

IUPAC3-hydroxy-N'-(3-phenylprop-2-enoyl)naphthalene-2-carbohydrazide
SMILESO=C(C=Cc1ccccc1)NNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C20H16N2O3/c23-18-13-16-9-5-4-8-15(16)12-17(18)20(25)22-21-19(24)11-10-14-6-2-1-3-7-14/h1-13,23H,(H,21,24)(H,22,25)
InChIKeyRRSHRAKRPSSAJB-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.02
Rot. Bonds3

About 3-hydroxy-N'-(3-phenylprop-2-enoyl)naphthalene-2-carbohydrazide

3-hydroxy-N'-(3-phenylprop-2-enoyl)naphthalene-2-carbohydrazide (PubChem CID 583133) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-hydroxy-N'-(3-phenylprop-2-enoyl)naphthalene-2-carbohydrazide.

Molecular Properties

Compound Name3-hydroxy-N'-(3-phenylprop-2-enoyl)naphthalene-2-carbohydrazide
PubChem CID583133
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name3-hydroxy-N'-(3-phenylprop-2-enoyl)naphthalene-2-carbohydrazide
SMILESO=C(C=Cc1ccccc1)NNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C20H16N2O3/c23-18-13-16-9-5-4-8-15(16)12-17(18)20(25)22-21-19(24)11-10-14-6-2-1-3-7-14/h1-13,23H,(H,21,24)(H,22,25)
InChIKeyRRSHRAKRPSSAJB-UHFFFAOYSA-N
XLogP3.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_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 3-hydroxy-N'-(3-phenylprop-2-enoyl)naphthalene-2-carbohydrazide?
The IUPAC name of 3-hydroxy-N'-(3-phenylprop-2-enoyl)naphthalene-2-carbohydrazide (CID 583133) is 3-hydroxy-N'-(3-phenylprop-2-enoyl)naphthalene-2-carbohydrazide.
What is the SMILES notation for 3-hydroxy-N'-(3-phenylprop-2-enoyl)naphthalene-2-carbohydrazide?
The canonical SMILES for 3-hydroxy-N'-(3-phenylprop-2-enoyl)naphthalene-2-carbohydrazide is O=C(C=Cc1ccccc1)NNC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N'-(3-phenylprop-2-enoyl)naphthalene-2-carbohydrazide?
The InChIKey is RRSHRAKRPSSAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-18-13-16-9-5-4-8-15(16)12-17(18)20(25)22-21-19(24)11-10-14-6-2-1-3-7-14/h1-13,23H,(H,21,24)(H,22,25).
What are the key properties of 3-hydroxy-N'-(3-phenylprop-2-enoyl)naphthalene-2-carbohydrazide?
3-hydroxy-N'-(3-phenylprop-2-enoyl)naphthalene-2-carbohydrazide has a molecular weight of 332.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N'-(3-phenylprop-2-enoyl)naphthalene-2-carbohydrazide is sourced from PubChem (CID 583133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).