2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-1-carboxamide

C14H16N2O2 — CID 164780033

IUPAC2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-1-carboxamide
SMILESNC(=O)c1cccc2c1CCC1(CCNC1=O)C2
InChIInChI=1S/C14H16N2O2/c15-12(17)11-3-1-2-9-8-14(5-4-10(9)11)6-7-16-13(14)18/h1-3H,4-8H2,(H2,15,17)(H,16,18)
InChIKeyJWLBFVQZJLRBSH-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.78
Rot. Bonds1

About 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-1-carboxamide

2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-1-carboxamide (PubChem CID 164780033) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-1-carboxamide.

Molecular Properties

Compound Name2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-1-carboxamide
PubChem CID164780033
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-1-carboxamide
SMILESNC(=O)c1cccc2c1CCC1(CCNC1=O)C2
InChIInChI=1S/C14H16N2O2/c15-12(17)11-3-1-2-9-8-14(5-4-10(9)11)6-7-16-13(14)18/h1-3H,4-8H2,(H2,15,17)(H,16,18)
InChIKeyJWLBFVQZJLRBSH-UHFFFAOYSA-N
XLogP0.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-1-carboxamide?
The IUPAC name of 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-1-carboxamide (CID 164780033) is 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-1-carboxamide.
What is the SMILES notation for 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-1-carboxamide?
The canonical SMILES for 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-1-carboxamide is NC(=O)c1cccc2c1CCC1(CCNC1=O)C2.
What is the InChIKey of 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-1-carboxamide?
The InChIKey is JWLBFVQZJLRBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-12(17)11-3-1-2-9-8-14(5-4-10(9)11)6-7-16-13(14)18/h1-3H,4-8H2,(H2,15,17)(H,16,18).
What are the key properties of 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-1-carboxamide?
2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-1-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-1-carboxamide is sourced from PubChem (CID 164780033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).