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

C18H27N3O2 — CID 97458033

IUPAC(2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCc1ccc(CN2C[C@H]3C[C@H](C(=O)NCC4CC4)N(C)[C@H]3C2)o1
InChIInChI=1S/C18H27N3O2/c1-12-3-6-15(23-12)10-21-9-14-7-16(20(2)17(14)11-21)18(22)19-8-13-4-5-13/h3,6,13-14,16-17H,4-5,7-11H2,1-2H3,(H,19,22)/t14-,16-,17+/m1/s1
InChIKeyCAGFHMDAUSQFND-OIISXLGYSA-N
MW317.43 g/mol
LogP1.62
Rot. Bonds5

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

(2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (PubChem CID 97458033) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
PubChem CID97458033
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCc1ccc(CN2C[C@H]3C[C@H](C(=O)NCC4CC4)N(C)[C@H]3C2)o1
InChIInChI=1S/C18H27N3O2/c1-12-3-6-15(23-12)10-21-9-14-7-16(20(2)17(14)11-21)18(22)19-8-13-4-5-13/h3,6,13-14,16-17H,4-5,7-11H2,1-2H3,(H,19,22)/t14-,16-,17+/m1/s1
InChIKeyCAGFHMDAUSQFND-OIISXLGYSA-N
XLogP1.62
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-[(5-methylfuran-2-yl)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)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of (2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (CID 97458033) is (2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-[(5-methylfuran-2-yl)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)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for (2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is Cc1ccc(CN2C[C@H]3C[C@H](C(=O)NCC4CC4)N(C)[C@H]3C2)o1.
What is the InChIKey of (2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The InChIKey is CAGFHMDAUSQFND-OIISXLGYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12-3-6-15(23-12)10-21-9-14-7-16(20(2)17(14)11-21)18(22)19-8-13-4-5-13/h3,6,13-14,16-17H,4-5,7-11H2,1-2H3,(H,19,22)/t14-,16-,17+/m1/s1.
What are the key properties of (2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
(2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.62, 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)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 97458033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).