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

C16H18N2O — CID 141104099

IUPACN-cyclopropyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide
SMILESO=C(NC1CC1)C1CCN2CC=c3ccccc3=C12
InChIInChI=1S/C16H18N2O/c19-16(17-12-5-6-12)14-8-10-18-9-7-11-3-1-2-4-13(11)15(14)18/h1-4,7,12,14H,5-6,8-10H2,(H,17,19)
InChIKeyPHCVMEBLRKICOR-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.19
Rot. Bonds2

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

N-cyclopropyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide (PubChem CID 141104099) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-cyclopropyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide
PubChem CID141104099
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-cyclopropyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide
SMILESO=C(NC1CC1)C1CCN2CC=c3ccccc3=C12
InChIInChI=1S/C16H18N2O/c19-16(17-12-5-6-12)14-8-10-18-9-7-11-3-1-2-4-13(11)15(14)18/h1-4,7,12,14H,5-6,8-10H2,(H,17,19)
InChIKeyPHCVMEBLRKICOR-UHFFFAOYSA-N
XLogP0.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 164640053
CID 164640053
CID 129732854
CID 129732854
CID 89463950
CID 89463950
CID 138719357
CID 138719357
CID 141104092
CID 141104092
CID 141104093
CID 141104093
CID 141104095
CID 141104095
CID 141104100
CID 141104100
CID 141104101
CID 141104101
CID 141104102
CID 141104102
CID 141104106
CID 141104106
CID 153553334
CID 153553334

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide?
The IUPAC name of N-cyclopropyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide (CID 141104099) is N-cyclopropyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide?
The canonical SMILES for N-cyclopropyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide is O=C(NC1CC1)C1CCN2CC=c3ccccc3=C12.
What is the InChIKey of N-cyclopropyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide?
The InChIKey is PHCVMEBLRKICOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16(17-12-5-6-12)14-8-10-18-9-7-11-3-1-2-4-13(11)15(14)18/h1-4,7,12,14H,5-6,8-10H2,(H,17,19).
What are the key properties of N-cyclopropyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide?
N-cyclopropyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide is sourced from PubChem (CID 141104099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).