1-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-3-carboxamide

C10H12N2O2 — CID 67476667

IUPAC1-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-3-carboxamide
SMILESNC(=O)c1cc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C10H12N2O2/c11-9(13)8-5-6-3-1-2-4-7(6)10(14)12-8/h5H,1-4H2,(H2,11,13)(H,12,14)
InChIKeyLNDXKZSPTVHXNC-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.35
Rot. Bonds1

About 1-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-3-carboxamide

1-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-3-carboxamide (PubChem CID 67476667) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-3-carboxamide
PubChem CID67476667
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-3-carboxamide
SMILESNC(=O)c1cc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C10H12N2O2/c11-9(13)8-5-6-3-1-2-4-7(6)10(14)12-8/h5H,1-4H2,(H2,11,13)(H,12,14)
InChIKeyLNDXKZSPTVHXNC-UHFFFAOYSA-N
XLogP0.35
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-3-carboxamide?
The IUPAC name of 1-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-3-carboxamide (CID 67476667) is 1-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for 1-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-3-carboxamide?
The canonical SMILES for 1-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-3-carboxamide is NC(=O)c1cc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of 1-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-3-carboxamide?
The InChIKey is LNDXKZSPTVHXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-9(13)8-5-6-3-1-2-4-7(6)10(14)12-8/h5H,1-4H2,(H2,11,13)(H,12,14).
What are the key properties of 1-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-3-carboxamide?
1-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-3-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 67476667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).