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

C9H17N3O — CID 64851610

IUPAC2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propanamide
SMILESCC(C(N)=O)N1C[C@@H]2CCN[C@@H]2C1
InChIInChI=1S/C9H17N3O/c1-6(9(10)13)12-4-7-2-3-11-8(7)5-12/h6-8,11H,2-5H2,1H3,(H2,10,13)/t6?,7-,8+/m0/s1
InChIKeyJVZRVSOHQUNHNB-ZHFSPANRSA-N
MW183.25 g/mol
LogP-0.85
Rot. Bonds2

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

2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propanamide (PubChem CID 64851610) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propanamide.

Molecular Properties

Compound Name2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propanamide
PubChem CID64851610
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propanamide
SMILESCC(C(N)=O)N1C[C@@H]2CCN[C@@H]2C1
InChIInChI=1S/C9H17N3O/c1-6(9(10)13)12-4-7-2-3-11-8(7)5-12/h6-8,11H,2-5H2,1H3,(H2,10,13)/t6?,7-,8+/m0/s1
InChIKeyJVZRVSOHQUNHNB-ZHFSPANRSA-N
XLogP-0.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide
CID 64850648
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-carbamoylpropanamide
CID 102681960
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propanamide
CID 130686441
ethyl 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]propanoate
CID 102682663
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-cyclopropylpropanamide
CID 102683108
(3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64850447
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-cyclopentylpropanamide
CID 102682591
(3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 166764383
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide
CID 102682398
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-pentan-2-ylpropanamide
CID 102682327
2-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976739
1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-cyclopropylpropan-1-one
CID 83154259

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]propanamide?
The IUPAC name of 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propanamide (CID 64851610) is 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propanamide.
What is the SMILES notation for 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propanamide?
The canonical SMILES for 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propanamide is CC(C(N)=O)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]propanamide?
The InChIKey is JVZRVSOHQUNHNB-ZHFSPANRSA-N. The full InChI is InChI=1S/C9H17N3O/c1-6(9(10)13)12-4-7-2-3-11-8(7)5-12/h6-8,11H,2-5H2,1H3,(H2,10,13)/t6?,7-,8+/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]propanamide?
2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propanamide has a molecular weight of 183.25 g/mol, XLogP of -0.85, 2 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]propanamide is sourced from PubChem (CID 64851610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).