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

C16H20N2O — CID 141104093

IUPACN-propan-2-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide
SMILESCC(C)NC(=O)C1CCN2CC=c3ccccc3=C12
InChIInChI=1S/C16H20N2O/c1-11(2)17-16(19)14-8-10-18-9-7-12-5-3-4-6-13(12)15(14)18/h3-7,11,14H,8-10H2,1-2H3,(H,17,19)
InChIKeyUONWOYLNGVBLEV-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.44
Rot. Bonds2

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

N-propan-2-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide (PubChem CID 141104093) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-propan-2-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide
PubChem CID141104093
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-propan-2-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide
SMILESCC(C)NC(=O)C1CCN2CC=c3ccccc3=C12
InChIInChI=1S/C16H20N2O/c1-11(2)17-16(19)14-8-10-18-9-7-12-5-3-4-6-13(12)15(14)18/h3-7,11,14H,8-10H2,1-2H3,(H,17,19)
InChIKeyUONWOYLNGVBLEV-UHFFFAOYSA-N
XLogP0.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide?
The IUPAC name of N-propan-2-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide (CID 141104093) is N-propan-2-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide?
The canonical SMILES for N-propan-2-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide is CC(C)NC(=O)C1CCN2CC=c3ccccc3=C12.
What is the InChIKey of N-propan-2-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide?
The InChIKey is UONWOYLNGVBLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11(2)17-16(19)14-8-10-18-9-7-12-5-3-4-6-13(12)15(14)18/h3-7,11,14H,8-10H2,1-2H3,(H,17,19).
What are the key properties of N-propan-2-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide?
N-propan-2-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide is sourced from PubChem (CID 141104093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).