[(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrrol-2-yl)methanone

C16H23N3O — CID 97386429

IUPAC[(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CC[C@H]2[C@H]1CCN2CC1CC1
InChIInChI=1S/C16H23N3O/c1-17-8-2-3-15(17)16(20)19-10-7-13-14(19)6-9-18(13)11-12-4-5-12/h2-3,8,12-14H,4-7,9-11H2,1H3/t13-,14+/m0/s1
InChIKeyGJAZGBBOUABMPY-UONOGXRCSA-N
MW273.38 g/mol
LogP1.72
Rot. Bonds3

About [(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrrol-2-yl)methanone

[(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 97386429) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID97386429
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CC[C@H]2[C@H]1CCN2CC1CC1
InChIInChI=1S/C16H23N3O/c1-17-8-2-3-15(17)16(20)19-10-7-13-14(19)6-9-18(13)11-12-4-5-12/h2-3,8,12-14H,4-7,9-11H2,1H3/t13-,14+/m0/s1
InChIKeyGJAZGBBOUABMPY-UONOGXRCSA-N
XLogP1.72
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrrol-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrrol-2-yl)methanone (CID 97386429) is [(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrrol-2-yl)methanone is Cn1cccc1C(=O)N1CC[C@H]2[C@H]1CCN2CC1CC1.
What is the InChIKey of [(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is GJAZGBBOUABMPY-UONOGXRCSA-N. The full InChI is InChI=1S/C16H23N3O/c1-17-8-2-3-15(17)16(20)19-10-7-13-14(19)6-9-18(13)11-12-4-5-12/h2-3,8,12-14H,4-7,9-11H2,1H3/t13-,14+/m0/s1.
What are the key properties of [(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrrol-2-yl)methanone?
[(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-1-(cyclopropylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 97386429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).