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

C17H16N2O2 — CID 61371935

IUPAC2-naphthalen-1-yl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
SMILESO=C1CC2CCCN2C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C17H16N2O2/c20-16-11-13-7-4-10-18(13)17(21)19(16)15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13H,4,7,10-11H2
InChIKeyAJHWRHWJDNAGIL-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.16
Rot. Bonds1

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

2-naphthalen-1-yl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione (PubChem CID 61371935) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-naphthalen-1-yl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
PubChem CID61371935
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-naphthalen-1-yl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
SMILESO=C1CC2CCCN2C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C17H16N2O2/c20-16-11-13-7-4-10-18(13)17(21)19(16)15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13H,4,7,10-11H2
InChIKeyAJHWRHWJDNAGIL-UHFFFAOYSA-N
XLogP3.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-naphthalen-1-yl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione (CID 61371935) is 2-naphthalen-1-yl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-naphthalen-1-yl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-naphthalen-1-yl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione is O=C1CC2CCCN2C(=O)N1c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The InChIKey is AJHWRHWJDNAGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16-11-13-7-4-10-18(13)17(21)19(16)15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13H,4,7,10-11H2.
What are the key properties of 2-naphthalen-1-yl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
2-naphthalen-1-yl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione has a molecular weight of 280.33 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 61371935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).