1-[5-(dimethylamino)-2H-chromen-3-yl]ethanone

C13H15NO2 — CID 101214914

IUPAC1-[5-(dimethylamino)-2H-chromen-3-yl]ethanone
SMILESCC(=O)C1=Cc2c(cccc2N(C)C)OC1
InChIInChI=1S/C13H15NO2/c1-9(15)10-7-11-12(14(2)3)5-4-6-13(11)16-8-10/h4-7H,8H2,1-3H3
InChIKeyDJNBIAWKTYXLNT-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.12
Rot. Bonds2

About 1-[5-(dimethylamino)-2H-chromen-3-yl]ethanone

1-[5-(dimethylamino)-2H-chromen-3-yl]ethanone (PubChem CID 101214914) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[5-(dimethylamino)-2H-chromen-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(dimethylamino)-2H-chromen-3-yl]ethanone
PubChem CID101214914
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-[5-(dimethylamino)-2H-chromen-3-yl]ethanone
SMILESCC(=O)C1=Cc2c(cccc2N(C)C)OC1
InChIInChI=1S/C13H15NO2/c1-9(15)10-7-11-12(14(2)3)5-4-6-13(11)16-8-10/h4-7H,8H2,1-3H3
InChIKeyDJNBIAWKTYXLNT-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)-2H-chromen-3-yl]ethanone?
The IUPAC name of 1-[5-(dimethylamino)-2H-chromen-3-yl]ethanone (CID 101214914) is 1-[5-(dimethylamino)-2H-chromen-3-yl]ethanone.
What is the SMILES notation for 1-[5-(dimethylamino)-2H-chromen-3-yl]ethanone?
The canonical SMILES for 1-[5-(dimethylamino)-2H-chromen-3-yl]ethanone is CC(=O)C1=Cc2c(cccc2N(C)C)OC1.
What is the InChIKey of 1-[5-(dimethylamino)-2H-chromen-3-yl]ethanone?
The InChIKey is DJNBIAWKTYXLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(15)10-7-11-12(14(2)3)5-4-6-13(11)16-8-10/h4-7H,8H2,1-3H3.
What are the key properties of 1-[5-(dimethylamino)-2H-chromen-3-yl]ethanone?
1-[5-(dimethylamino)-2H-chromen-3-yl]ethanone has a molecular weight of 217.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)-2H-chromen-3-yl]ethanone is sourced from PubChem (CID 101214914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).