2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)propan-1-one

C12H15NO2 — CID 82609750

IUPAC2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)propan-1-one
SMILESCC(N)C(=O)c1ccc2c(c1)CCOC2
InChIInChI=1S/C12H15NO2/c1-8(13)12(14)10-2-3-11-7-15-5-4-9(11)6-10/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyCZIDIKMXBRLIDK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.29
Rot. Bonds2

About 2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)propan-1-one

2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)propan-1-one (PubChem CID 82609750) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)propan-1-one
PubChem CID82609750
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)propan-1-one
SMILESCC(N)C(=O)c1ccc2c(c1)CCOC2
InChIInChI=1S/C12H15NO2/c1-8(13)12(14)10-2-3-11-7-15-5-4-9(11)6-10/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyCZIDIKMXBRLIDK-UHFFFAOYSA-N
XLogP1.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
CID 171323399
2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one
CID 83154271
3-[cyclopropyl(3,4-dihydro-1H-isochromene-6-carbonyl)amino]-2-methylpropanoic acid
CID 136552014
2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one
CID 84696853
2-amino-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 83832234
N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide
CID 67621245
3-(3,4-dihydro-1H-isochromen-6-yl)butanoic acid
CID 82616230
3,4-dihydro-1H-isochromen-6-amine;hydrochloride
CID 122164228
1-(3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-yl)ethanone
CID 23276908
1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine
CID 82599521
N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732267
(2R)-2-amino-1-naphthalen-2-ylpropan-1-one
CID 67852700

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)propan-1-one?
The IUPAC name of 2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)propan-1-one (CID 82609750) is 2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)propan-1-one is CC(N)C(=O)c1ccc2c(c1)CCOC2.
What is the InChIKey of 2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)propan-1-one?
The InChIKey is CZIDIKMXBRLIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(13)12(14)10-2-3-11-7-15-5-4-9(11)6-10/h2-3,6,8H,4-5,7,13H2,1H3.
What are the key properties of 2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)propan-1-one?
2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)propan-1-one has a molecular weight of 205.26 g/mol, XLogP of 1.29, 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-1H-isochromen-6-yl)propan-1-one is sourced from PubChem (CID 82609750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).