7-methylidene-4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione

C21H21NO3 — CID 58187323

IUPAC7-methylidene-4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCCC3(c4ccccc4)CC3)c2C(=O)N1
InChIInChI=1S/C21H21NO3/c1-14-12-17-19(20(24)22-14)15(13-18(23)25-17)6-5-9-21(10-11-21)16-7-3-2-4-8-16/h2-4,7-8,13H,1,5-6,9-12H2,(H,22,24)
InChIKeyWNNZSEMHEFJDCL-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.49
Rot. Bonds5

About 7-methylidene-4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione

7-methylidene-4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 58187323) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 7-methylidene-4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name7-methylidene-4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID58187323
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name7-methylidene-4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCCC3(c4ccccc4)CC3)c2C(=O)N1
InChIInChI=1S/C21H21NO3/c1-14-12-17-19(20(24)22-14)15(13-18(23)25-17)6-5-9-21(10-11-21)16-7-3-2-4-8-16/h2-4,7-8,13H,1,5-6,9-12H2,(H,22,24)
InChIKeyWNNZSEMHEFJDCL-UHFFFAOYSA-N
XLogP3.49
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methylidene-4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione with MolForge

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Related Compounds

4-[(2-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187491
4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187598
7-methylidene-4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187363
4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187432
4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317011
4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317033
4-benzyl-6,7-dimethoxy-1-methyl-2H-isoquinolin-3-one
CID 60164471
[6-(2-methylpropyl)-2-oxo-3-phenyl-1H-pyridin-4-yl] acetate
CID 90220599
7-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-phenyl-3,4-dihydro-1H-pyrano[4,3-b]pyridine-2,5-dione
CID 162358406
6-[(4,4-dimethylcyclohexyl)methyl]-4-methoxy-3-phenyl-1H-pyridin-2-one
CID 173654734

Frequently Asked Questions

What is the IUPAC name of 7-methylidene-4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 7-methylidene-4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione (CID 58187323) is 7-methylidene-4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 7-methylidene-4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 7-methylidene-4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione is C=C1Cc2oc(=O)cc(CCCC3(c4ccccc4)CC3)c2C(=O)N1.
What is the InChIKey of 7-methylidene-4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is WNNZSEMHEFJDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-14-12-17-19(20(24)22-14)15(13-18(23)25-17)6-5-9-21(10-11-21)16-7-3-2-4-8-16/h2-4,7-8,13H,1,5-6,9-12H2,(H,22,24).
What are the key properties of 7-methylidene-4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione?
7-methylidene-4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 335.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 58187323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).