(3aR,6aR)-N-(2-methylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide

C11H21N3O — CID 97377198

IUPAC(3aR,6aR)-N-(2-methylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide
SMILESCC(C)CNC(=O)N1C[C@H]2CCN[C@H]2C1
InChIInChI=1S/C11H21N3O/c1-8(2)5-13-11(15)14-6-9-3-4-12-10(9)7-14/h8-10,12H,3-7H2,1-2H3,(H,13,15)/t9-,10+/m1/s1
InChIKeyFWSAFPXGFQCQFK-ZJUUUORDSA-N
MW211.31 g/mol
LogP0.65
Rot. Bonds2

About (3aR,6aR)-N-(2-methylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide

(3aR,6aR)-N-(2-methylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide (PubChem CID 97377198) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (3aR,6aR)-N-(2-methylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-N-(2-methylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide
PubChem CID97377198
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(3aR,6aR)-N-(2-methylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide
SMILESCC(C)CNC(=O)N1C[C@H]2CCN[C@H]2C1
InChIInChI=1S/C11H21N3O/c1-8(2)5-13-11(15)14-6-9-3-4-12-10(9)7-14/h8-10,12H,3-7H2,1-2H3,(H,13,15)/t9-,10+/m1/s1
InChIKeyFWSAFPXGFQCQFK-ZJUUUORDSA-N
XLogP0.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-N-(2-methylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide?
The IUPAC name of (3aR,6aR)-N-(2-methylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide (CID 97377198) is (3aR,6aR)-N-(2-methylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide.
What is the SMILES notation for (3aR,6aR)-N-(2-methylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide?
The canonical SMILES for (3aR,6aR)-N-(2-methylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide is CC(C)CNC(=O)N1C[C@H]2CCN[C@H]2C1.
What is the InChIKey of (3aR,6aR)-N-(2-methylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide?
The InChIKey is FWSAFPXGFQCQFK-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(2)5-13-11(15)14-6-9-3-4-12-10(9)7-14/h8-10,12H,3-7H2,1-2H3,(H,13,15)/t9-,10+/m1/s1.
What are the key properties of (3aR,6aR)-N-(2-methylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide?
(3aR,6aR)-N-(2-methylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide has a molecular weight of 211.31 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-N-(2-methylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxamide is sourced from PubChem (CID 97377198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).