2-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylacetamide

C13H17NO2 — CID 18914095

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CCOc2ccccc21
InChIInChI=1S/C13H17NO2/c1-14(2)13(15)9-10-7-8-16-12-6-4-3-5-11(10)12/h3-6,10H,7-9H2,1-2H3
InChIKeyABRNQOUKNUZCPP-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.03
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylacetamide

2-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylacetamide (PubChem CID 18914095) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylacetamide
PubChem CID18914095
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CCOc2ccccc21
InChIInChI=1S/C13H17NO2/c1-14(2)13(15)9-10-7-8-16-12-6-4-3-5-11(10)12/h3-6,10H,7-9H2,1-2H3
InChIKeyABRNQOUKNUZCPP-UHFFFAOYSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylacetamide (CID 18914095) is 2-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylacetamide is CN(C)C(=O)CC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylacetamide?
The InChIKey is ABRNQOUKNUZCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-14(2)13(15)9-10-7-8-16-12-6-4-3-5-11(10)12/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylacetamide?
2-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylacetamide has a molecular weight of 219.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 18914095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).