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

C11H13NO2 — CID 10352535

IUPAC2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
SMILESNCC(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C11H13NO2/c12-7-10(13)8-3-4-11-9(6-8)2-1-5-14-11/h3-4,6H,1-2,5,7,12H2
InChIKeyFDPIPOBHHRRSPS-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.15
Rot. Bonds2

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

2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone (PubChem CID 10352535) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
PubChem CID10352535
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
SMILESNCC(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C11H13NO2/c12-7-10(13)8-3-4-11-9(6-8)2-1-5-14-11/h3-4,6H,1-2,5,7,12H2
InChIKeyFDPIPOBHHRRSPS-UHFFFAOYSA-N
XLogP1.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanone
CID 82242395
3-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropan-1-one
CID 116826629
1-(3,4-dihydro-2H-chromen-6-yl)pentan-1-one
CID 61027347
[3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium
CID 7214406
1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one
CID 82493834
2,3,4,5-tetrahydro-1-benzoxepine-7-carboxamide
CID 118096760
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826329
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 61027612
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone
CID 61026711
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63492348
2,2-dichloro-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 116827170

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone?
The IUPAC name of 2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone (CID 10352535) is 2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone?
The canonical SMILES for 2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone is NCC(=O)c1ccc2c(c1)CCCO2.
What is the InChIKey of 2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone?
The InChIKey is FDPIPOBHHRRSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c12-7-10(13)8-3-4-11-9(6-8)2-1-5-14-11/h3-4,6H,1-2,5,7,12H2.
What are the key properties of 2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone?
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone has a molecular weight of 191.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone is sourced from PubChem (CID 10352535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).