3-(pyrrolidine-1-carbonyl)chromen-2-one

C14H13NO3 — CID 28912

IUPAC3-(pyrrolidine-1-carbonyl)chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCCC1
InChIInChI=1S/C14H13NO3/c16-13(15-7-3-4-8-15)11-9-10-5-1-2-6-12(10)18-14(11)17/h1-2,5-6,9H,3-4,7-8H2
InChIKeyRPGFNKRNXYKRNZ-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.03
Rot. Bonds1

About 3-(pyrrolidine-1-carbonyl)chromen-2-one

3-(pyrrolidine-1-carbonyl)chromen-2-one (PubChem CID 28912) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-(pyrrolidine-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name3-(pyrrolidine-1-carbonyl)chromen-2-one
PubChem CID28912
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name3-(pyrrolidine-1-carbonyl)chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCCC1
InChIInChI=1S/C14H13NO3/c16-13(15-7-3-4-8-15)11-9-10-5-1-2-6-12(10)18-14(11)17/h1-2,5-6,9H,3-4,7-8H2
InChIKeyRPGFNKRNXYKRNZ-UHFFFAOYSA-N
XLogP2.03
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

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CID 728535
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CID 28914
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CID 724217
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CID 3559465
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CID 599283
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CID 28913
CID 28913
CID 120586
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CID 823440
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CID 10657190
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CID 682187
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CID 898402
CID 898402

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidine-1-carbonyl)chromen-2-one?
The IUPAC name of 3-(pyrrolidine-1-carbonyl)chromen-2-one (CID 28912) is 3-(pyrrolidine-1-carbonyl)chromen-2-one.
What is the SMILES notation for 3-(pyrrolidine-1-carbonyl)chromen-2-one?
The canonical SMILES for 3-(pyrrolidine-1-carbonyl)chromen-2-one is O=C(c1cc2ccccc2oc1=O)N1CCCC1.
What is the InChIKey of 3-(pyrrolidine-1-carbonyl)chromen-2-one?
The InChIKey is RPGFNKRNXYKRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-13(15-7-3-4-8-15)11-9-10-5-1-2-6-12(10)18-14(11)17/h1-2,5-6,9H,3-4,7-8H2.
What are the key properties of 3-(pyrrolidine-1-carbonyl)chromen-2-one?
3-(pyrrolidine-1-carbonyl)chromen-2-one has a molecular weight of 243.26 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidine-1-carbonyl)chromen-2-one is sourced from PubChem (CID 28912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).