N-(3,4-dihydro-1H-isochromen-1-ylmethyl)acetamide

C12H15NO2 — CID 2836272

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)acetamide
SMILESCC(=O)NCC1OCCc2ccccc21
InChIInChI=1S/C12H15NO2/c1-9(14)13-8-12-11-5-3-2-4-10(11)6-7-15-12/h2-5,12H,6-8H2,1H3,(H,13,14)
InChIKeyVSSYAWQXPOVLAI-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.44
Rot. Bonds2

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)acetamide

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)acetamide (PubChem CID 2836272) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)acetamide
PubChem CID2836272
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)acetamide
SMILESCC(=O)NCC1OCCc2ccccc21
InChIInChI=1S/C12H15NO2/c1-9(14)13-8-12-11-5-3-2-4-10(11)6-7-15-12/h2-5,12H,6-8H2,1H3,(H,13,14)
InChIKeyVSSYAWQXPOVLAI-UHFFFAOYSA-N
XLogP1.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)acetamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)acetamide (CID 2836272) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)acetamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)acetamide is CC(=O)NCC1OCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)acetamide?
The InChIKey is VSSYAWQXPOVLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(14)13-8-12-11-5-3-2-4-10(11)6-7-15-12/h2-5,12H,6-8H2,1H3,(H,13,14).
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)acetamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)acetamide has a molecular weight of 205.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)acetamide is sourced from PubChem (CID 2836272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).