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

C12H22N4O2 — CID 66208763

IUPACN-carbamoyl-3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide
SMILESCCC1C2CNCC2CN1CCC(=O)NC(N)=O
InChIInChI=1S/C12H22N4O2/c1-2-10-9-6-14-5-8(9)7-16(10)4-3-11(17)15-12(13)18/h8-10,14H,2-7H2,1H3,(H3,13,15,17,18)
InChIKeyQYKOKRBIBNESJP-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.50
Rot. Bonds4

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

N-carbamoyl-3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide (PubChem CID 66208763) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-carbamoyl-3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide
PubChem CID66208763
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-carbamoyl-3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide
SMILESCCC1C2CNCC2CN1CCC(=O)NC(N)=O
InChIInChI=1S/C12H22N4O2/c1-2-10-9-6-14-5-8(9)7-16(10)4-3-11(17)15-12(13)18/h8-10,14H,2-7H2,1H3,(H3,13,15,17,18)
InChIKeyQYKOKRBIBNESJP-UHFFFAOYSA-N
XLogP-0.50
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide?
The IUPAC name of N-carbamoyl-3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide (CID 66208763) is N-carbamoyl-3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide.
What is the SMILES notation for N-carbamoyl-3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide?
The canonical SMILES for N-carbamoyl-3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide is CCC1C2CNCC2CN1CCC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide?
The InChIKey is QYKOKRBIBNESJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-2-10-9-6-14-5-8(9)7-16(10)4-3-11(17)15-12(13)18/h8-10,14H,2-7H2,1H3,(H3,13,15,17,18).
What are the key properties of N-carbamoyl-3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide?
N-carbamoyl-3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide has a molecular weight of 254.33 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide is sourced from PubChem (CID 66208763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).