N-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide

C14H16N2O — CID 141104095

IUPACN-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide
SMILESCNC(=O)C1CCN2CC=c3ccccc3=C12
InChIInChI=1S/C14H16N2O/c1-15-14(17)12-7-9-16-8-6-10-4-2-3-5-11(10)13(12)16/h2-6,12H,7-9H2,1H3,(H,15,17)
InChIKeyBRSOSNCWIBJXBK-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.34
Rot. Bonds1

About N-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide

N-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide (PubChem CID 141104095) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide
PubChem CID141104095
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide
SMILESCNC(=O)C1CCN2CC=c3ccccc3=C12
InChIInChI=1S/C14H16N2O/c1-15-14(17)12-7-9-16-8-6-10-4-2-3-5-11(10)13(12)16/h2-6,12H,7-9H2,1H3,(H,15,17)
InChIKeyBRSOSNCWIBJXBK-UHFFFAOYSA-N
XLogP-0.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide?
The IUPAC name of N-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide (CID 141104095) is N-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide.
What is the SMILES notation for N-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide?
The canonical SMILES for N-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide is CNC(=O)C1CCN2CC=c3ccccc3=C12.
What is the InChIKey of N-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide?
The InChIKey is BRSOSNCWIBJXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-15-14(17)12-7-9-16-8-6-10-4-2-3-5-11(10)13(12)16/h2-6,12H,7-9H2,1H3,(H,15,17).
What are the key properties of N-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide?
N-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide has a molecular weight of 228.30 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide is sourced from PubChem (CID 141104095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).