(2Z)-2-[(4-methylbenzoyl)hydrazinylidene]chromene-3-carboxamide

C18H15N3O3 — CID 6295008

IUPAC(2Z)-2-[(4-methylbenzoyl)hydrazinylidene]chromene-3-carboxamide
SMILESCc1ccc(C(=O)N/N=c2\oc3ccccc3cc2C(N)=O)cc1
InChIInChI=1S/C18H15N3O3/c1-11-6-8-12(9-7-11)17(23)20-21-18-14(16(19)22)10-13-4-2-3-5-15(13)24-18/h2-10H,1H3,(H2,19,22)(H,20,23)/b21-18-
InChIKeyVUAXRVTZOKEZBY-UZYVYHOESA-N
MW321.34 g/mol
LogP2.09
Rot. Bonds3

About (2Z)-2-[(4-methylbenzoyl)hydrazinylidene]chromene-3-carboxamide

(2Z)-2-[(4-methylbenzoyl)hydrazinylidene]chromene-3-carboxamide (PubChem CID 6295008) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is (2Z)-2-[(4-methylbenzoyl)hydrazinylidene]chromene-3-carboxamide.

Molecular Properties

Compound Name(2Z)-2-[(4-methylbenzoyl)hydrazinylidene]chromene-3-carboxamide
PubChem CID6295008
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name(2Z)-2-[(4-methylbenzoyl)hydrazinylidene]chromene-3-carboxamide
SMILESCc1ccc(C(=O)N/N=c2\oc3ccccc3cc2C(N)=O)cc1
InChIInChI=1S/C18H15N3O3/c1-11-6-8-12(9-7-11)17(23)20-21-18-14(16(19)22)10-13-4-2-3-5-15(13)24-18/h2-10H,1H3,(H2,19,22)(H,20,23)/b21-18-
InChIKeyVUAXRVTZOKEZBY-UZYVYHOESA-N
XLogP2.09
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-methylbenzoyl)hydrazinylidene]chromene-3-carboxamide?
The IUPAC name of (2Z)-2-[(4-methylbenzoyl)hydrazinylidene]chromene-3-carboxamide (CID 6295008) is (2Z)-2-[(4-methylbenzoyl)hydrazinylidene]chromene-3-carboxamide.
What is the SMILES notation for (2Z)-2-[(4-methylbenzoyl)hydrazinylidene]chromene-3-carboxamide?
The canonical SMILES for (2Z)-2-[(4-methylbenzoyl)hydrazinylidene]chromene-3-carboxamide is Cc1ccc(C(=O)N/N=c2\oc3ccccc3cc2C(N)=O)cc1.
What is the InChIKey of (2Z)-2-[(4-methylbenzoyl)hydrazinylidene]chromene-3-carboxamide?
The InChIKey is VUAXRVTZOKEZBY-UZYVYHOESA-N. The full InChI is InChI=1S/C18H15N3O3/c1-11-6-8-12(9-7-11)17(23)20-21-18-14(16(19)22)10-13-4-2-3-5-15(13)24-18/h2-10H,1H3,(H2,19,22)(H,20,23)/b21-18-.
What are the key properties of (2Z)-2-[(4-methylbenzoyl)hydrazinylidene]chromene-3-carboxamide?
(2Z)-2-[(4-methylbenzoyl)hydrazinylidene]chromene-3-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-methylbenzoyl)hydrazinylidene]chromene-3-carboxamide is sourced from PubChem (CID 6295008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).