(3aR,6aS)-2-(furan-2-carbonyl)-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide

C16H22N2O3 — CID 98260311

IUPAC(3aR,6aS)-2-(furan-2-carbonyl)-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide
SMILESCC(C)NC(=O)C1C[C@@H]2CN(C(=O)c3ccco3)C[C@@H]2C1
InChIInChI=1S/C16H22N2O3/c1-10(2)17-15(19)11-6-12-8-18(9-13(12)7-11)16(20)14-4-3-5-21-14/h3-5,10-13H,6-9H2,1-2H3,(H,17,19)/t11?,12-,13+
InChIKeyRWKFYWMOJNNLAS-YHWZYXNKSA-N
MW290.36 g/mol
LogP1.90
Rot. Bonds3

About (3aR,6aS)-2-(furan-2-carbonyl)-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide

(3aR,6aS)-2-(furan-2-carbonyl)-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide (PubChem CID 98260311) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3aR,6aS)-2-(furan-2-carbonyl)-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aR,6aS)-2-(furan-2-carbonyl)-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide
PubChem CID98260311
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(3aR,6aS)-2-(furan-2-carbonyl)-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide
SMILESCC(C)NC(=O)C1C[C@@H]2CN(C(=O)c3ccco3)C[C@@H]2C1
InChIInChI=1S/C16H22N2O3/c1-10(2)17-15(19)11-6-12-8-18(9-13(12)7-11)16(20)14-4-3-5-21-14/h3-5,10-13H,6-9H2,1-2H3,(H,17,19)/t11?,12-,13+
InChIKeyRWKFYWMOJNNLAS-YHWZYXNKSA-N
XLogP1.90
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,6aS)-2-(furan-2-carbonyl)-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide with MolForge

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Related Compounds

1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
4-(4-fluorophenyl)-1-(furan-2-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 42680934
furan-2-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185227
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
2-(furan-2-carbonyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118741205
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
CID 108940840
(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 32613901
(3R)-1-(furan-2-carbonyl)-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
CID 32625420
azepan-1-yl(furan-2-yl)methanone
CID 5200992
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-(furan-2-carbonyl)-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide?
The IUPAC name of (3aR,6aS)-2-(furan-2-carbonyl)-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide (CID 98260311) is (3aR,6aS)-2-(furan-2-carbonyl)-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide.
What is the SMILES notation for (3aR,6aS)-2-(furan-2-carbonyl)-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide?
The canonical SMILES for (3aR,6aS)-2-(furan-2-carbonyl)-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide is CC(C)NC(=O)C1C[C@@H]2CN(C(=O)c3ccco3)C[C@@H]2C1.
What is the InChIKey of (3aR,6aS)-2-(furan-2-carbonyl)-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide?
The InChIKey is RWKFYWMOJNNLAS-YHWZYXNKSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(2)17-15(19)11-6-12-8-18(9-13(12)7-11)16(20)14-4-3-5-21-14/h3-5,10-13H,6-9H2,1-2H3,(H,17,19)/t11?,12-,13+.
What are the key properties of (3aR,6aS)-2-(furan-2-carbonyl)-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide?
(3aR,6aS)-2-(furan-2-carbonyl)-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-(furan-2-carbonyl)-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide is sourced from PubChem (CID 98260311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).