(5Z,7Z)-2-oxospiro[1H-cycloocta[b]pyrrole-3,4'-pyrrolidine]-2'-carboxamide

C14H15N3O2 — CID 174009159

IUPAC(5Z,7Z)-2-oxospiro[1H-cycloocta[b]pyrrole-3,4'-pyrrolidine]-2'-carboxamide
SMILESNC(=O)C1CC2(CN1)C(=O)NC1=C/C=C\C=C/C=C12
InChIInChI=1S/C14H15N3O2/c15-12(18)11-7-14(8-16-11)9-5-3-1-2-4-6-10(9)17-13(14)19/h1-6,11,16H,7-8H2,(H2,15,18)(H,17,19)/b2-1-,3-1-,4-2-,5-3?,6-4?,9-5?,10-6?
InChIKeyKOLPGLPKJYTRIW-UEYJATSJSA-N
MW257.29 g/mol
LogP-0.11
Rot. Bonds1

About (5Z,7Z)-2-oxospiro[1H-cycloocta[b]pyrrole-3,4'-pyrrolidine]-2'-carboxamide

(5Z,7Z)-2-oxospiro[1H-cycloocta[b]pyrrole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 174009159) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is (5Z,7Z)-2-oxospiro[1H-cycloocta[b]pyrrole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound Name(5Z,7Z)-2-oxospiro[1H-cycloocta[b]pyrrole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID174009159
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name(5Z,7Z)-2-oxospiro[1H-cycloocta[b]pyrrole-3,4'-pyrrolidine]-2'-carboxamide
SMILESNC(=O)C1CC2(CN1)C(=O)NC1=C/C=C\C=C/C=C12
InChIInChI=1S/C14H15N3O2/c15-12(18)11-7-14(8-16-11)9-5-3-1-2-4-6-10(9)17-13(14)19/h1-6,11,16H,7-8H2,(H2,15,18)(H,17,19)/b2-1-,3-1-,4-2-,5-3?,6-4?,9-5?,10-6?
InChIKeyKOLPGLPKJYTRIW-UEYJATSJSA-N
XLogP-0.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-2-oxospiro[1H-cycloocta[b]pyrrole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of (5Z,7Z)-2-oxospiro[1H-cycloocta[b]pyrrole-3,4'-pyrrolidine]-2'-carboxamide (CID 174009159) is (5Z,7Z)-2-oxospiro[1H-cycloocta[b]pyrrole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for (5Z,7Z)-2-oxospiro[1H-cycloocta[b]pyrrole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for (5Z,7Z)-2-oxospiro[1H-cycloocta[b]pyrrole-3,4'-pyrrolidine]-2'-carboxamide is NC(=O)C1CC2(CN1)C(=O)NC1=C/C=C\C=C/C=C12.
What is the InChIKey of (5Z,7Z)-2-oxospiro[1H-cycloocta[b]pyrrole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is KOLPGLPKJYTRIW-UEYJATSJSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-12(18)11-7-14(8-16-11)9-5-3-1-2-4-6-10(9)17-13(14)19/h1-6,11,16H,7-8H2,(H2,15,18)(H,17,19)/b2-1-,3-1-,4-2-,5-3?,6-4?,9-5?,10-6?.
What are the key properties of (5Z,7Z)-2-oxospiro[1H-cycloocta[b]pyrrole-3,4'-pyrrolidine]-2'-carboxamide?
(5Z,7Z)-2-oxospiro[1H-cycloocta[b]pyrrole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 257.29 g/mol, XLogP of -0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-2-oxospiro[1H-cycloocta[b]pyrrole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 174009159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).