N-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide

C11H14N2O2 — CID 131380829

IUPACN-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)COC[C@@H]2N
InChIInChI=1S/C11H14N2O2/c1-7(14)13-9-2-3-10-8(4-9)5-15-6-11(10)12/h2-4,11H,5-6,12H2,1H3,(H,13,14)/t11-/m0/s1
InChIKeyLSSFCQVHUXPBFK-NSHDSACASA-N
MW206.24 g/mol
LogP1.17
Rot. Bonds1

About N-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide

N-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide (PubChem CID 131380829) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is N-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide.

Molecular Properties

Compound NameN-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide
PubChem CID131380829
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC NameN-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)COC[C@@H]2N
InChIInChI=1S/C11H14N2O2/c1-7(14)13-9-2-3-10-8(4-9)5-15-6-11(10)12/h2-4,11H,5-6,12H2,1H3,(H,13,14)/t11-/m0/s1
InChIKeyLSSFCQVHUXPBFK-NSHDSACASA-N
XLogP1.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-amino-2,3-dihydro-1H-inden-5-yl]acetamide
CID 55277889
N-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 21393481
(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)carbamic acid
CID 135386697
N-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide
CID 171129746
N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide
CID 163853434
N-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide
CID 22218129
N-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide
CID 123877752
4H-1,3-benzodioxin-6-ylurea
CID 91180713
N-(2-amino-4H-3,1-benzoxazin-6-yl)acetamide;2,3-dihydro-1H-indene
CID 143951459
N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide
CID 771593
N-[4-(1,3-dioxolan-2-yl)-3-(2-hydroxyethyl)phenyl]acetamide
CID 158382939
N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]acetamide
CID 110637499

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide?
The IUPAC name of N-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide (CID 131380829) is N-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide.
What is the SMILES notation for N-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide?
The canonical SMILES for N-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide is CC(=O)Nc1ccc2c(c1)COC[C@@H]2N.
What is the InChIKey of N-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide?
The InChIKey is LSSFCQVHUXPBFK-NSHDSACASA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7(14)13-9-2-3-10-8(4-9)5-15-6-11(10)12/h2-4,11H,5-6,12H2,1H3,(H,13,14)/t11-/m0/s1.
What are the key properties of N-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide?
N-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide has a molecular weight of 206.24 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide is sourced from PubChem (CID 131380829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).