(4R,4aR)-4-cyclopropyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione

C10H14N2O2 — CID 10465222

IUPAC(4R,4aR)-4-cyclopropyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
SMILESO=C1NC(=O)N2CCC[C@@H]2[C@H]1C1CC1
InChIInChI=1S/C10H14N2O2/c13-9-8(6-3-4-6)7-2-1-5-12(7)10(14)11-9/h6-8H,1-5H2,(H,11,13,14)/t7-,8-/m1/s1
InChIKeyKZSJRQUQIVSRIO-HTQZYQBOSA-N
MW194.23 g/mol
LogP0.73
Rot. Bonds1

About (4R,4aR)-4-cyclopropyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione

(4R,4aR)-4-cyclopropyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione (PubChem CID 10465222) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (4R,4aR)-4-cyclopropyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name(4R,4aR)-4-cyclopropyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
PubChem CID10465222
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(4R,4aR)-4-cyclopropyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
SMILESO=C1NC(=O)N2CCC[C@@H]2[C@H]1C1CC1
InChIInChI=1S/C10H14N2O2/c13-9-8(6-3-4-6)7-2-1-5-12(7)10(14)11-9/h6-8H,1-5H2,(H,11,13,14)/t7-,8-/m1/s1
InChIKeyKZSJRQUQIVSRIO-HTQZYQBOSA-N
XLogP0.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,4aR)-4-cyclopropyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of (4R,4aR)-4-cyclopropyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione (CID 10465222) is (4R,4aR)-4-cyclopropyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for (4R,4aR)-4-cyclopropyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for (4R,4aR)-4-cyclopropyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione is O=C1NC(=O)N2CCC[C@@H]2[C@H]1C1CC1.
What is the InChIKey of (4R,4aR)-4-cyclopropyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The InChIKey is KZSJRQUQIVSRIO-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9-8(6-3-4-6)7-2-1-5-12(7)10(14)11-9/h6-8H,1-5H2,(H,11,13,14)/t7-,8-/m1/s1.
What are the key properties of (4R,4aR)-4-cyclopropyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
(4R,4aR)-4-cyclopropyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione has a molecular weight of 194.23 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR)-4-cyclopropyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 10465222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).