2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione

C9H14N2O2 — CID 61372322

IUPAC2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
SMILESCCN1C(=O)CC2CCCN2C1=O
InChIInChI=1S/C9H14N2O2/c1-2-10-8(12)6-7-4-3-5-11(7)9(10)13/h7H,2-6H2,1H3
InChIKeyAARLIMPHZULEQQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.82
Rot. Bonds1

About 2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione

2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione (PubChem CID 61372322) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
PubChem CID61372322
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
SMILESCCN1C(=O)CC2CCCN2C1=O
InChIInChI=1S/C9H14N2O2/c1-2-10-8(12)6-7-4-3-5-11(7)9(10)13/h7H,2-6H2,1H3
InChIKeyAARLIMPHZULEQQ-UHFFFAOYSA-N
XLogP0.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione (CID 61372322) is 2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione is CCN1C(=O)CC2CCCN2C1=O.
What is the InChIKey of 2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The InChIKey is AARLIMPHZULEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-10-8(12)6-7-4-3-5-11(7)9(10)13/h7H,2-6H2,1H3.
What are the key properties of 2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione has a molecular weight of 182.22 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 61372322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).