acetamide;1,2,3,4-tetrahydroisoquinoline

C11H16N2O — CID 67612975

IUPACacetamide;1,2,3,4-tetrahydroisoquinoline
SMILESCC(N)=O.c1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11N.C2H5NO/c1-2-4-9-7-10-6-5-8(9)3-1;1-2(3)4/h1-4,10H,5-7H2;1H3,(H2,3,4)
InChIKeySIDCKBYOGVETMM-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.82
Rot. Bonds

About acetamide;1,2,3,4-tetrahydroisoquinoline

acetamide;1,2,3,4-tetrahydroisoquinoline (PubChem CID 67612975) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is acetamide;1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Nameacetamide;1,2,3,4-tetrahydroisoquinoline
PubChem CID67612975
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Nameacetamide;1,2,3,4-tetrahydroisoquinoline
SMILESCC(N)=O.c1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11N.C2H5NO/c1-2-4-9-7-10-6-5-8(9)3-1;1-2(3)4/h1-4,10H,5-7H2;1H3,(H2,3,4)
InChIKeySIDCKBYOGVETMM-UHFFFAOYSA-N
XLogP0.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetamide;1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of acetamide;1,2,3,4-tetrahydroisoquinoline (CID 67612975) is acetamide;1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for acetamide;1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for acetamide;1,2,3,4-tetrahydroisoquinoline is CC(N)=O.c1ccc2c(c1)CCNC2.
What is the InChIKey of acetamide;1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SIDCKBYOGVETMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C2H5NO/c1-2-4-9-7-10-6-5-8(9)3-1;1-2(3)4/h1-4,10H,5-7H2;1H3,(H2,3,4).
What are the key properties of acetamide;1,2,3,4-tetrahydroisoquinoline?
acetamide;1,2,3,4-tetrahydroisoquinoline has a molecular weight of 192.26 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 67612975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).