N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide

C14H15NO3 — CID 169466156

IUPACN-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc2c(c1)C(=O)CCO2
InChIInChI=1S/C14H15NO3/c1-10(16)15-7-2-3-11-4-5-14-12(9-11)13(17)6-8-18-14/h2-5,9H,6-8H2,1H3,(H,15,16)
InChIKeyJIPRQIVXXPJWFL-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.80
Rot. Bonds3

About N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide

N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide (PubChem CID 169466156) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide
PubChem CID169466156
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC NameN-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc2c(c1)C(=O)CCO2
InChIInChI=1S/C14H15NO3/c1-10(16)15-7-2-3-11-4-5-14-12(9-11)13(17)6-8-18-14/h2-5,9H,6-8H2,1H3,(H,15,16)
InChIKeyJIPRQIVXXPJWFL-UHFFFAOYSA-N
XLogP1.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide
CID 169465576
6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one
CID 169476137
4-(4-oxo-2,3-dihydrochromen-6-yl)but-3-enal
CID 170482549
N-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide
CID 169465574
3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide
CID 169482398
N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]acetamide
CID 169466209
6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one
CID 155211404
N-[(5-oxo-3,4-dihydro-2H-1-benzoxepin-7-yl)methyl]acetamide
CID 10609667
N-[3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enyl]acetamide
CID 169465620
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
N-hydroxy-3-(12-oxo-2-oxabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)prop-2-enamide
CID 123869348
6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 150818824

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide (CID 169466156) is N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc2c(c1)C(=O)CCO2.
What is the InChIKey of N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide?
The InChIKey is JIPRQIVXXPJWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10(16)15-7-2-3-11-4-5-14-12(9-11)13(17)6-8-18-14/h2-5,9H,6-8H2,1H3,(H,15,16).
What are the key properties of N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide?
N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide has a molecular weight of 245.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).