2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide

C15H27N3O — CID 64850648

IUPAC2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)N1C[C@@H]2CCN[C@@H]2C1
InChIInChI=1S/C15H27N3O/c1-11(15(19)17-13-5-3-2-4-6-13)18-9-12-7-8-16-14(12)10-18/h11-14,16H,2-10H2,1H3,(H,17,19)/t11?,12-,14+/m0/s1
InChIKeyULKNGCYSGDQGBJ-VBVNFKHJSA-N
MW265.40 g/mol
LogP1.12
Rot. Bonds3

About 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide

2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide (PubChem CID 64850648) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide
PubChem CID64850648
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)N1C[C@@H]2CCN[C@@H]2C1
InChIInChI=1S/C15H27N3O/c1-11(15(19)17-13-5-3-2-4-6-13)18-9-12-7-8-16-14(12)10-18/h11-14,16H,2-10H2,1H3,(H,17,19)/t11?,12-,14+/m0/s1
InChIKeyULKNGCYSGDQGBJ-VBVNFKHJSA-N
XLogP1.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide with MolForge

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Related Compounds

Laburnamine
CID 23251657
1-(cis-Hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)-3,3-dimethylbutan-1-one
CID 96399495
1-(cis-Hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)-4-methylpentan-1-one
CID 96402707
1-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylethanone
CID 97377184
1-{2-[(3R*,4S*)-3-amino-4-propyl-1-pyrrolidinyl]-2-oxoethyl}-2-pyrrolidinone
CID 72909623
2,2-Dimethyl-1-{2-methyl-octahydropyrrolo[2,3-c]pyrrol-1-yl}propan-1-one
CID 43595515
1-[(2S,3aR,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 93211501
3,3,3-trifluoro-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)propan-1-one
CID 43595454
2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 64850245
4,4,4-trifluoro-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)butan-1-one
CID 65711994
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66207403
2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66210002

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide?
The IUPAC name of 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide (CID 64850648) is 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide is CC(C(=O)NC1CCCCC1)N1C[C@@H]2CCN[C@@H]2C1.
What is the InChIKey of 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide?
The InChIKey is ULKNGCYSGDQGBJ-VBVNFKHJSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(15(19)17-13-5-3-2-4-6-13)18-9-12-7-8-16-14(12)10-18/h11-14,16H,2-10H2,1H3,(H,17,19)/t11?,12-,14+/m0/s1.
What are the key properties of 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide?
2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide has a molecular weight of 265.40 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide is sourced from PubChem (CID 64850648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).