4aH-benzo[c]chromene-9-carbohydrazide

C14H12N2O2 — CID 87079521

IUPAC4aH-benzo[c]chromene-9-carbohydrazide
SMILESNNC(=O)c1ccc2c(c1)=C1C=CC=CC1OC=2
InChIInChI=1S/C14H12N2O2/c15-16-14(17)9-5-6-10-8-18-13-4-2-1-3-11(13)12(10)7-9/h1-8,13H,15H2,(H,16,17)
InChIKeyZKULUTXZDVUDMV-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.30
Rot. Bonds1

About 4aH-benzo[c]chromene-9-carbohydrazide

4aH-benzo[c]chromene-9-carbohydrazide (PubChem CID 87079521) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4aH-benzo[c]chromene-9-carbohydrazide.

Molecular Properties

Compound Name4aH-benzo[c]chromene-9-carbohydrazide
PubChem CID87079521
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4aH-benzo[c]chromene-9-carbohydrazide
SMILESNNC(=O)c1ccc2c(c1)=C1C=CC=CC1OC=2
InChIInChI=1S/C14H12N2O2/c15-16-14(17)9-5-6-10-8-18-13-4-2-1-3-11(13)12(10)7-9/h1-8,13H,15H2,(H,16,17)
InChIKeyZKULUTXZDVUDMV-UHFFFAOYSA-N
XLogP-0.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2H-pyran-4-carbohydrazide
CID 141125864
3-Methoxycyclohexa-1,5-diene-1-carbohydrazide
CID 143902861

Frequently Asked Questions

What is the IUPAC name of 4aH-benzo[c]chromene-9-carbohydrazide?
The IUPAC name of 4aH-benzo[c]chromene-9-carbohydrazide (CID 87079521) is 4aH-benzo[c]chromene-9-carbohydrazide.
What is the SMILES notation for 4aH-benzo[c]chromene-9-carbohydrazide?
The canonical SMILES for 4aH-benzo[c]chromene-9-carbohydrazide is NNC(=O)c1ccc2c(c1)=C1C=CC=CC1OC=2.
What is the InChIKey of 4aH-benzo[c]chromene-9-carbohydrazide?
The InChIKey is ZKULUTXZDVUDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-16-14(17)9-5-6-10-8-18-13-4-2-1-3-11(13)12(10)7-9/h1-8,13H,15H2,(H,16,17).
What are the key properties of 4aH-benzo[c]chromene-9-carbohydrazide?
4aH-benzo[c]chromene-9-carbohydrazide has a molecular weight of 240.26 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-benzo[c]chromene-9-carbohydrazide is sourced from PubChem (CID 87079521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).