9H-fluoren-9-ylmethyl 2,4-dioxopyrimidine-1-carboxylate

C19H14N2O4 — CID 90901938

IUPAC9H-fluoren-9-ylmethyl 2,4-dioxopyrimidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C19H14N2O4/c22-17-9-10-21(18(23)20-17)19(24)25-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-10,16H,11H2,(H,20,22,23)
InChIKeyCMDSIJSPLCVYHB-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.33
Rot. Bonds2

About 9H-fluoren-9-ylmethyl 2,4-dioxopyrimidine-1-carboxylate

9H-fluoren-9-ylmethyl 2,4-dioxopyrimidine-1-carboxylate (PubChem CID 90901938) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2,4-dioxopyrimidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2,4-dioxopyrimidine-1-carboxylate
PubChem CID90901938
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name9H-fluoren-9-ylmethyl 2,4-dioxopyrimidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C19H14N2O4/c22-17-9-10-21(18(23)20-17)19(24)25-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-10,16H,11H2,(H,20,22,23)
InChIKeyCMDSIJSPLCVYHB-UHFFFAOYSA-N
XLogP2.33
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
9H-fluoren-9-ylmethyl N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]carbamate
CID 18633287
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl benzimidazole-1-carboxylate
CID 175850253
9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
CID 90763939
2,4-dioxopyrimidine-1-carboxamide
CID 54056435
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
CID 23573686
CID 23573686

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2,4-dioxopyrimidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2,4-dioxopyrimidine-1-carboxylate (CID 90901938) is 9H-fluoren-9-ylmethyl 2,4-dioxopyrimidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2,4-dioxopyrimidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2,4-dioxopyrimidine-1-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2,4-dioxopyrimidine-1-carboxylate?
The InChIKey is CMDSIJSPLCVYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c22-17-9-10-21(18(23)20-17)19(24)25-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-10,16H,11H2,(H,20,22,23).
What are the key properties of 9H-fluoren-9-ylmethyl 2,4-dioxopyrimidine-1-carboxylate?
9H-fluoren-9-ylmethyl 2,4-dioxopyrimidine-1-carboxylate has a molecular weight of 334.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 2,4-dioxopyrimidine-1-carboxylate is sourced from PubChem (CID 90901938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).