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

C13H25N3O — CID 66208055

IUPACN,N-dimethyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanamide
SMILESCC1C2CNCC2CN1CCCC(=O)N(C)C
InChIInChI=1S/C13H25N3O/c1-10-12-8-14-7-11(12)9-16(10)6-4-5-13(17)15(2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyQIFSIMYOMBTRTP-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.39
Rot. Bonds4

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

N,N-dimethyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanamide (PubChem CID 66208055) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanamide
PubChem CID66208055
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN,N-dimethyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanamide
SMILESCC1C2CNCC2CN1CCCC(=O)N(C)C
InChIInChI=1S/C13H25N3O/c1-10-12-8-14-7-11(12)9-16(10)6-4-5-13(17)15(2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyQIFSIMYOMBTRTP-UHFFFAOYSA-N
XLogP0.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanamide?
The IUPAC name of N,N-dimethyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanamide (CID 66208055) is N,N-dimethyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanamide.
What is the SMILES notation for N,N-dimethyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanamide?
The canonical SMILES for N,N-dimethyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanamide is CC1C2CNCC2CN1CCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanamide?
The InChIKey is QIFSIMYOMBTRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-12-8-14-7-11(12)9-16(10)6-4-5-13(17)15(2)3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanamide?
N,N-dimethyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanamide has a molecular weight of 239.36 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanamide is sourced from PubChem (CID 66208055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).