N-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide

C13H17NO3 — CID 15391789

IUPACN-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide
SMILESCOc1ccc2c(c1)CC(CNC(C)=O)CO2
InChIInChI=1S/C13H17NO3/c1-9(15)14-7-10-5-11-6-12(16-2)3-4-13(11)17-8-10/h3-4,6,10H,5,7-8H2,1-2H3,(H,14,15)
InChIKeyRTIMESLYVGWXTE-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.38
Rot. Bonds3

About N-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide

N-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide (PubChem CID 15391789) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide
PubChem CID15391789
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide
SMILESCOc1ccc2c(c1)CC(CNC(C)=O)CO2
InChIInChI=1S/C13H17NO3/c1-9(15)14-7-10-5-11-6-12(16-2)3-4-13(11)17-8-10/h3-4,6,10H,5,7-8H2,1-2H3,(H,14,15)
InChIKeyRTIMESLYVGWXTE-UHFFFAOYSA-N
XLogP1.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide?
The IUPAC name of N-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide (CID 15391789) is N-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide?
The canonical SMILES for N-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide is COc1ccc2c(c1)CC(CNC(C)=O)CO2.
What is the InChIKey of N-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide?
The InChIKey is RTIMESLYVGWXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(15)14-7-10-5-11-6-12(16-2)3-4-13(11)17-8-10/h3-4,6,10H,5,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide?
N-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide has a molecular weight of 235.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide is sourced from PubChem (CID 15391789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).