3-(3,4-dihydro-2H-chromen-5-yl)propanamide

C12H15NO2 — CID 19611662

IUPAC3-(3,4-dihydro-2H-chromen-5-yl)propanamide
SMILESNC(=O)CCc1cccc2c1CCCO2
InChIInChI=1S/C12H15NO2/c13-12(14)7-6-9-3-1-5-11-10(9)4-2-8-15-11/h1,3,5H,2,4,6-8H2,(H2,13,14)
InChIKeyKXOFUDZZBQFUKX-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.43
Rot. Bonds3

About 3-(3,4-dihydro-2H-chromen-5-yl)propanamide

3-(3,4-dihydro-2H-chromen-5-yl)propanamide (PubChem CID 19611662) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-5-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-5-yl)propanamide
PubChem CID19611662
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-(3,4-dihydro-2H-chromen-5-yl)propanamide
SMILESNC(=O)CCc1cccc2c1CCCO2
InChIInChI=1S/C12H15NO2/c13-12(14)7-6-9-3-1-5-11-10(9)4-2-8-15-11/h1,3,5H,2,4,6-8H2,(H2,13,14)
InChIKeyKXOFUDZZBQFUKX-UHFFFAOYSA-N
XLogP1.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-5-yl)propanamide?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-5-yl)propanamide (CID 19611662) is 3-(3,4-dihydro-2H-chromen-5-yl)propanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-5-yl)propanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-5-yl)propanamide is NC(=O)CCc1cccc2c1CCCO2.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-5-yl)propanamide?
The InChIKey is KXOFUDZZBQFUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-12(14)7-6-9-3-1-5-11-10(9)4-2-8-15-11/h1,3,5H,2,4,6-8H2,(H2,13,14).
What are the key properties of 3-(3,4-dihydro-2H-chromen-5-yl)propanamide?
3-(3,4-dihydro-2H-chromen-5-yl)propanamide has a molecular weight of 205.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-5-yl)propanamide is sourced from PubChem (CID 19611662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).