2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-4-one

C19H18N4O3 — CID 121190459

IUPAC2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C19H18N4O3/c24-16-9-18(26-17-4-2-1-3-14(16)17)19(25)22-8-7-13(10-22)23-11-15(20-21-23)12-5-6-12/h1-4,9,11-13H,5-8,10H2
InChIKeyIYHIQDQBYARGBS-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.35
Rot. Bonds3

About 2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-4-one

2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-4-one (PubChem CID 121190459) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-4-one
PubChem CID121190459
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C19H18N4O3/c24-16-9-18(26-17-4-2-1-3-14(16)17)19(25)22-8-7-13(10-22)23-11-15(20-21-23)12-5-6-12/h1-4,9,11-13H,5-8,10H2
InChIKeyIYHIQDQBYARGBS-UHFFFAOYSA-N
XLogP2.35
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-4-one?
The IUPAC name of 2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-4-one (CID 121190459) is 2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-4-one?
The canonical SMILES for 2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-4-one is O=C(c1cc(=O)c2ccccc2o1)N1CCC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-4-one?
The InChIKey is IYHIQDQBYARGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-16-9-18(26-17-4-2-1-3-14(16)17)19(25)22-8-7-13(10-22)23-11-15(20-21-23)12-5-6-12/h1-4,9,11-13H,5-8,10H2.
What are the key properties of 2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-4-one?
2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-4-one has a molecular weight of 350.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 121190459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).