(2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

C17H25N3O2 — CID 97458030

IUPAC(2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCN1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccco3)C[C@@H]21
InChIInChI=1S/C17H25N3O2/c1-19-15(17(21)18-8-12-4-5-12)7-13-9-20(11-16(13)19)10-14-3-2-6-22-14/h2-3,6,12-13,15-16H,4-5,7-11H2,1H3,(H,18,21)/t13-,15-,16+/m1/s1
InChIKeyMAEMKQDLWDBZFY-BMFZPTHFSA-N
MW303.41 g/mol
LogP1.31
Rot. Bonds5

About (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

(2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (PubChem CID 97458030) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
PubChem CID97458030
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCN1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccco3)C[C@@H]21
InChIInChI=1S/C17H25N3O2/c1-19-15(17(21)18-8-12-4-5-12)7-13-9-20(11-16(13)19)10-14-3-2-6-22-14/h2-3,6,12-13,15-16H,4-5,7-11H2,1H3,(H,18,21)/t13-,15-,16+/m1/s1
InChIKeyMAEMKQDLWDBZFY-BMFZPTHFSA-N
XLogP1.31
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (CID 97458030) is (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is CN1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccco3)C[C@@H]21.
What is the InChIKey of (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The InChIKey is MAEMKQDLWDBZFY-BMFZPTHFSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19-15(17(21)18-8-12-4-5-12)7-13-9-20(11-16(13)19)10-14-3-2-6-22-14/h2-3,6,12-13,15-16H,4-5,7-11H2,1H3,(H,18,21)/t13-,15-,16+/m1/s1.
What are the key properties of (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
(2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 97458030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).