4-[2-(2-ethylcyclopropyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione

C16H19NO3 — CID 58187400

IUPAC4-[2-(2-ethylcyclopropyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCC3CC3CC)c2C(=O)N1
InChIInChI=1S/C16H19NO3/c1-3-10-7-11(10)4-5-12-8-14(18)20-13-6-9(2)17-16(19)15(12)13/h8,10-11H,2-7H2,1H3,(H,17,19)
InChIKeyIHCNTZCJENRVFU-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.42
Rot. Bonds4

About 4-[2-(2-ethylcyclopropyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione

4-[2-(2-ethylcyclopropyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 58187400) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[2-(2-ethylcyclopropyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-[2-(2-ethylcyclopropyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID58187400
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name4-[2-(2-ethylcyclopropyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCC3CC3CC)c2C(=O)N1
InChIInChI=1S/C16H19NO3/c1-3-10-7-11(10)4-5-12-8-14(18)20-13-6-9(2)17-16(19)15(12)13/h8,10-11H,2-7H2,1H3,(H,17,19)
InChIKeyIHCNTZCJENRVFU-UHFFFAOYSA-N
XLogP2.42
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1S)-3,3-difluorocyclopentyl]methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187330
4-[4-(difluoromethylidene)hexyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187601
4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187647
4-[2-(3,3-difluorocyclobutyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187661
4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-2-methyl-6-oxopyran-3-carboxamide
CID 143674442
N-[4-(2-cyclopentylethyl)-7-methylidene-2,5-dioxo-8H-pyrano[3,2-c]pyridin-3-yl]acetamide
CID 58187269
4-(2-cyclopentylethyl)-3-methyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187280
7-methylidene-4-(4-methylpentyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187292
4-(cycloheptylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187304
4-[3-(1-propan-2-ylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187311
4-(cyclohexylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187315
4-[3-(2-ethylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187331

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethylcyclopropyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-[2-(2-ethylcyclopropyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (CID 58187400) is 4-[2-(2-ethylcyclopropyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-[2-(2-ethylcyclopropyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-[2-(2-ethylcyclopropyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is C=C1Cc2oc(=O)cc(CCC3CC3CC)c2C(=O)N1.
What is the InChIKey of 4-[2-(2-ethylcyclopropyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is IHCNTZCJENRVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-10-7-11(10)4-5-12-8-14(18)20-13-6-9(2)17-16(19)15(12)13/h8,10-11H,2-7H2,1H3,(H,17,19).
What are the key properties of 4-[2-(2-ethylcyclopropyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
4-[2-(2-ethylcyclopropyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 273.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethylcyclopropyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 58187400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).