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

C18H23NO3 — CID 58187508

IUPAC7-methylidene-4-[3-(1-propylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCCC3(CCC)CC3)c2C(=O)N1
InChIInChI=1S/C18H23NO3/c1-3-6-18(8-9-18)7-4-5-13-11-15(20)22-14-10-12(2)19-17(21)16(13)14/h11H,2-10H2,1H3,(H,19,21)
InChIKeyAUXIGUQDUCSNMO-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.34
Rot. Bonds6

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

7-methylidene-4-[3-(1-propylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 58187508) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 7-methylidene-4-[3-(1-propylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name7-methylidene-4-[3-(1-propylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID58187508
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name7-methylidene-4-[3-(1-propylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCCC3(CCC)CC3)c2C(=O)N1
InChIInChI=1S/C18H23NO3/c1-3-6-18(8-9-18)7-4-5-13-11-15(20)22-14-10-12(2)19-17(21)16(13)14/h11H,2-10H2,1H3,(H,19,21)
InChIKeyAUXIGUQDUCSNMO-UHFFFAOYSA-N
XLogP3.34
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(difluoromethylidene)hexyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187601
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
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
7-methylidene-4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187335
4-(cyclopropylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187340
4-(3-methylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187349

Frequently Asked Questions

What is the IUPAC name of 7-methylidene-4-[3-(1-propylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 7-methylidene-4-[3-(1-propylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione (CID 58187508) is 7-methylidene-4-[3-(1-propylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 7-methylidene-4-[3-(1-propylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 7-methylidene-4-[3-(1-propylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione is C=C1Cc2oc(=O)cc(CCCC3(CCC)CC3)c2C(=O)N1.
What is the InChIKey of 7-methylidene-4-[3-(1-propylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is AUXIGUQDUCSNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-6-18(8-9-18)7-4-5-13-11-15(20)22-14-10-12(2)19-17(21)16(13)14/h11H,2-10H2,1H3,(H,19,21).
What are the key properties of 7-methylidene-4-[3-(1-propylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione?
7-methylidene-4-[3-(1-propylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 301.39 g/mol, XLogP of 3.34, 6 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-propylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 58187508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).