N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide

C12H15NO3 — CID 115140407

IUPACN-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide
SMILESCC(O)C(=O)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C12H15NO3/c1-8(14)12(15)13-10-4-5-11-9(7-10)3-2-6-16-11/h4-5,7-8,14H,2-3,6H2,1H3,(H,13,15)
InChIKeySQGMVUJEBJCFKB-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.33
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide

N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide (PubChem CID 115140407) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide
PubChem CID115140407
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide
SMILESCC(O)C(=O)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C12H15NO3/c1-8(14)12(15)13-10-4-5-11-9(7-10)3-2-6-16-11/h4-5,7-8,14H,2-3,6H2,1H3,(H,13,15)
InChIKeySQGMVUJEBJCFKB-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide
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CID 107903969
1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea
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N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide
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2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-3-methylbutanoic acid
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N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide
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4-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-4-oxobutanoic acid
CID 115164479
(2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide
CID 61177905
(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide
CID 94681442
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentanamide
CID 110837781
N-(3,4-dihydro-2H-chromen-6-yl)pyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide (CID 115140407) is N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide is CC(O)C(=O)Nc1ccc2c(c1)CCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide?
The InChIKey is SQGMVUJEBJCFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(14)12(15)13-10-4-5-11-9(7-10)3-2-6-16-11/h4-5,7-8,14H,2-3,6H2,1H3,(H,13,15).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide?
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide has a molecular weight of 221.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide is sourced from PubChem (CID 115140407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).