N-(2-naphthalen-1-ylethyl)-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide

C20H24N2O — CID 119050357

IUPACN-(2-naphthalen-1-ylethyl)-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide
SMILESO=C(NCCc1cccc2ccccc12)C12CCCN1CCC2
InChIInChI=1S/C20H24N2O/c23-19(20-11-4-14-22(20)15-5-12-20)21-13-10-17-8-3-7-16-6-1-2-9-18(16)17/h1-3,6-9H,4-5,10-15H2,(H,21,23)
InChIKeyJRJRYMAGXDTALK-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.13
Rot. Bonds4

About N-(2-naphthalen-1-ylethyl)-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide

N-(2-naphthalen-1-ylethyl)-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide (PubChem CID 119050357) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is N-(2-naphthalen-1-ylethyl)-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide.

Molecular Properties

Compound NameN-(2-naphthalen-1-ylethyl)-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide
PubChem CID119050357
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC NameN-(2-naphthalen-1-ylethyl)-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide
SMILESO=C(NCCc1cccc2ccccc12)C12CCCN1CCC2
InChIInChI=1S/C20H24N2O/c23-19(20-11-4-14-22(20)15-5-12-20)21-13-10-17-8-3-7-16-6-1-2-9-18(16)17/h1-3,6-9H,4-5,10-15H2,(H,21,23)
InChIKeyJRJRYMAGXDTALK-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-ylethyl)-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide?
The IUPAC name of N-(2-naphthalen-1-ylethyl)-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide (CID 119050357) is N-(2-naphthalen-1-ylethyl)-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide.
What is the SMILES notation for N-(2-naphthalen-1-ylethyl)-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide?
The canonical SMILES for N-(2-naphthalen-1-ylethyl)-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide is O=C(NCCc1cccc2ccccc12)C12CCCN1CCC2.
What is the InChIKey of N-(2-naphthalen-1-ylethyl)-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide?
The InChIKey is JRJRYMAGXDTALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c23-19(20-11-4-14-22(20)15-5-12-20)21-13-10-17-8-3-7-16-6-1-2-9-18(16)17/h1-3,6-9H,4-5,10-15H2,(H,21,23).
What are the key properties of N-(2-naphthalen-1-ylethyl)-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide?
N-(2-naphthalen-1-ylethyl)-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide has a molecular weight of 308.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-ylethyl)-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide is sourced from PubChem (CID 119050357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).