(3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C8H14N2O — CID 97358980

IUPAC(3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESNC(=O)[C@@H]1NC[C@H]2CCC[C@H]21
InChIInChI=1S/C8H14N2O/c9-8(11)7-6-3-1-2-5(6)4-10-7/h5-7,10H,1-4H2,(H2,9,11)/t5-,6-,7-/m1/s1
InChIKeyKAIODGZZEANQLB-FSDSQADBSA-N
MW154.21 g/mol
LogP-0.14
Rot. Bonds1

About (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

(3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 97358980) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound Name(3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID97358980
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESNC(=O)[C@@H]1NC[C@H]2CCC[C@H]21
InChIInChI=1S/C8H14N2O/c9-8(11)7-6-3-1-2-5(6)4-10-7/h5-7,10H,1-4H2,(H2,9,11)/t5-,6-,7-/m1/s1
InChIKeyKAIODGZZEANQLB-FSDSQADBSA-N
XLogP-0.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 97358980) is (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is NC(=O)[C@@H]1NC[C@H]2CCC[C@H]21.
What is the InChIKey of (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is KAIODGZZEANQLB-FSDSQADBSA-N. The full InChI is InChI=1S/C8H14N2O/c9-8(11)7-6-3-1-2-5(6)4-10-7/h5-7,10H,1-4H2,(H2,9,11)/t5-,6-,7-/m1/s1.
What are the key properties of (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
(3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 154.21 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 97358980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).