3,4-dihydro-1H-isoquinoline-2-carboxamide

C10H12N2O — CID 13442640

IUPAC3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESNC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C10H12N2O/c11-10(13)12-6-5-8-3-1-2-4-9(8)7-12/h1-4H,5-7H2,(H2,11,13)
InChIKeyNCOFBBARJYKKNL-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.12
Rot. Bonds

About 3,4-dihydro-1H-isoquinoline-2-carboxamide

3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 13442640) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID13442640
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESNC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C10H12N2O/c11-10(13)12-6-5-8-3-1-2-4-9(8)7-12/h1-4H,5-7H2,(H2,11,13)
InChIKeyNCOFBBARJYKKNL-UHFFFAOYSA-N
XLogP1.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 13442640) is 3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 3,4-dihydro-1H-isoquinoline-2-carboxamide is NC(=O)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is NCOFBBARJYKKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-10(13)12-6-5-8-3-1-2-4-9(8)7-12/h1-4H,5-7H2,(H2,11,13).
What are the key properties of 3,4-dihydro-1H-isoquinoline-2-carboxamide?
3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 176.22 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 13442640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).