3-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropan-1-one

C12H15NO3 — CID 116826629

IUPAC3-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropan-1-one
SMILESNCC(O)C(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C12H15NO3/c13-7-10(14)12(15)9-3-4-11-8(6-9)2-1-5-16-11/h3-4,6,10,14H,1-2,5,7,13H2
InChIKeyODHBZCUJHGKBHY-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.51
Rot. Bonds3

About 3-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropan-1-one

3-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropan-1-one (PubChem CID 116826629) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropan-1-one
PubChem CID116826629
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropan-1-one
SMILESNCC(O)C(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C12H15NO3/c13-7-10(14)12(15)9-3-4-11-8(6-9)2-1-5-16-11/h3-4,6,10,14H,1-2,5,7,13H2
InChIKeyODHBZCUJHGKBHY-UHFFFAOYSA-N
XLogP0.51
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
2,2-dichloro-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 116827170
2,3,4,5-tetrahydro-1-benzoxepine-7-carboxamide
CID 118096760
3-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-3-oxopropanoic acid
CID 116918231
4-(3,4-dihydro-2H-chromen-6-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103500042
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol
CID 116942558
2-chloro-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanone
CID 82242395
1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-2-methylpropan-1-one
CID 116920405
2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol
CID 82241510
2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoic acid
CID 116920551

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropan-1-one?
The IUPAC name of 3-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropan-1-one (CID 116826629) is 3-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropan-1-one.
What is the SMILES notation for 3-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropan-1-one?
The canonical SMILES for 3-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropan-1-one is NCC(O)C(=O)c1ccc2c(c1)CCCO2.
What is the InChIKey of 3-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropan-1-one?
The InChIKey is ODHBZCUJHGKBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c13-7-10(14)12(15)9-3-4-11-8(6-9)2-1-5-16-11/h3-4,6,10,14H,1-2,5,7,13H2.
What are the key properties of 3-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropan-1-one?
3-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropan-1-one has a molecular weight of 221.26 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropan-1-one is sourced from PubChem (CID 116826629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).