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

C15H18N2O — CID 141104092

IUPACN-ethyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide
SMILESCCNC(=O)C1CCN2CC=c3ccccc3=C12
InChIInChI=1S/C15H18N2O/c1-2-16-15(18)13-8-10-17-9-7-11-5-3-4-6-12(11)14(13)17/h3-7,13H,2,8-10H2,1H3,(H,16,18)
InChIKeyGDSNNWAORWTMFB-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.05
Rot. Bonds2

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

N-ethyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide (PubChem CID 141104092) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-ethyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide
PubChem CID141104092
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-ethyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide
SMILESCCNC(=O)C1CCN2CC=c3ccccc3=C12
InChIInChI=1S/C15H18N2O/c1-2-16-15(18)13-8-10-17-9-7-11-5-3-4-6-12(11)14(13)17/h3-7,13H,2,8-10H2,1H3,(H,16,18)
InChIKeyGDSNNWAORWTMFB-UHFFFAOYSA-N
XLogP0.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide?
The IUPAC name of N-ethyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide (CID 141104092) is N-ethyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide.
What is the SMILES notation for N-ethyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide?
The canonical SMILES for N-ethyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide is CCNC(=O)C1CCN2CC=c3ccccc3=C12.
What is the InChIKey of N-ethyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide?
The InChIKey is GDSNNWAORWTMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-16-15(18)13-8-10-17-9-7-11-5-3-4-6-12(11)14(13)17/h3-7,13H,2,8-10H2,1H3,(H,16,18).
What are the key properties of N-ethyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide?
N-ethyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide is sourced from PubChem (CID 141104092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).