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

C13H22N4O2 — CID 66207479

IUPAC2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CC2CNCC2C1C
InChIInChI=1S/C13H22N4O2/c1-3-4-15-13(19)16-12(18)8-17-7-10-5-14-6-11(10)9(17)2/h3,9-11,14H,1,4-8H2,2H3,(H2,15,16,18,19)
InChIKeyWXCFICRCWGCBMH-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.46
Rot. Bonds4

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

2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 66207479) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID66207479
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CC2CNCC2C1C
InChIInChI=1S/C13H22N4O2/c1-3-4-15-13(19)16-12(18)8-17-7-10-5-14-6-11(10)9(17)2/h3,9-11,14H,1,4-8H2,2H3,(H2,15,16,18,19)
InChIKeyWXCFICRCWGCBMH-UHFFFAOYSA-N
XLogP-0.46
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 60916696
CID 60916696
CID 60916970
CID 60916970
CID 64850450
CID 64850450
CID 64851991
CID 64851991
CID 66207398
CID 66207398
CID 66207586
CID 66207586
CID 66207587
CID 66207587
CID 66207591
CID 66207591
CID 66207669
CID 66207669
CID 66207677
CID 66207677
CID 66207862
CID 66207862
CID 66207863
CID 66207863

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide (CID 66207479) is 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN1CC2CNCC2C1C.
What is the InChIKey of 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is WXCFICRCWGCBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-4-15-13(19)16-12(18)8-17-7-10-5-14-6-11(10)9(17)2/h3,9-11,14H,1,4-8H2,2H3,(H2,15,16,18,19).
What are the key properties of 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide?
2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 266.34 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 66207479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).