N'-[2-(4-methyl-2-oxochromen-7-yl)ethyl]prop-2-enehydrazide

C15H16N2O3 — CID 171469459

IUPACN'-[2-(4-methyl-2-oxochromen-7-yl)ethyl]prop-2-enehydrazide
SMILESC=CC(=O)NNCCc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C15H16N2O3/c1-3-14(18)17-16-7-6-11-4-5-12-10(2)8-15(19)20-13(12)9-11/h3-5,8-9,16H,1,6-7H2,2H3,(H,17,18)
InChIKeyKCTMECSWPIQCMZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.45
Rot. Bonds5

About N'-[2-(4-methyl-2-oxochromen-7-yl)ethyl]prop-2-enehydrazide

N'-[2-(4-methyl-2-oxochromen-7-yl)ethyl]prop-2-enehydrazide (PubChem CID 171469459) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N'-[2-(4-methyl-2-oxochromen-7-yl)ethyl]prop-2-enehydrazide.

Molecular Properties

Compound NameN'-[2-(4-methyl-2-oxochromen-7-yl)ethyl]prop-2-enehydrazide
PubChem CID171469459
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN'-[2-(4-methyl-2-oxochromen-7-yl)ethyl]prop-2-enehydrazide
SMILESC=CC(=O)NNCCc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C15H16N2O3/c1-3-14(18)17-16-7-6-11-4-5-12-10(2)8-15(19)20-13(12)9-11/h3-5,8-9,16H,1,6-7H2,2H3,(H,17,18)
InChIKeyKCTMECSWPIQCMZ-UHFFFAOYSA-N
XLogP1.45
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'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 N'-[2-(4-methyl-2-oxochromen-7-yl)ethyl]prop-2-enehydrazide?
The IUPAC name of N'-[2-(4-methyl-2-oxochromen-7-yl)ethyl]prop-2-enehydrazide (CID 171469459) is N'-[2-(4-methyl-2-oxochromen-7-yl)ethyl]prop-2-enehydrazide.
What is the SMILES notation for N'-[2-(4-methyl-2-oxochromen-7-yl)ethyl]prop-2-enehydrazide?
The canonical SMILES for N'-[2-(4-methyl-2-oxochromen-7-yl)ethyl]prop-2-enehydrazide is C=CC(=O)NNCCc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of N'-[2-(4-methyl-2-oxochromen-7-yl)ethyl]prop-2-enehydrazide?
The InChIKey is KCTMECSWPIQCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-14(18)17-16-7-6-11-4-5-12-10(2)8-15(19)20-13(12)9-11/h3-5,8-9,16H,1,6-7H2,2H3,(H,17,18).
What are the key properties of N'-[2-(4-methyl-2-oxochromen-7-yl)ethyl]prop-2-enehydrazide?
N'-[2-(4-methyl-2-oxochromen-7-yl)ethyl]prop-2-enehydrazide has a molecular weight of 272.30 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methyl-2-oxochromen-7-yl)ethyl]prop-2-enehydrazide is sourced from PubChem (CID 171469459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).