7-methylidene-4-[[(6R)-spiro[2.4]heptan-6-yl]methyl]-8H-pyrano[3,2-c]pyridine-2,5-dione

C17H19NO3 — CID 58187509

IUPAC7-methylidene-4-[[(6R)-spiro[2.4]heptan-6-yl]methyl]-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(C[C@@H]3CCC4(CC4)C3)c2C(=O)N1
InChIInChI=1S/C17H19NO3/c1-10-6-13-15(16(20)18-10)12(8-14(19)21-13)7-11-2-3-17(9-11)4-5-17/h8,11H,1-7,9H2,(H,18,20)/t11-/m0/s1
InChIKeyPLVQPFMWEDKOEQ-NSHDSACASA-N
MW285.34 g/mol
LogP2.56
Rot. Bonds2

About 7-methylidene-4-[[(6R)-spiro[2.4]heptan-6-yl]methyl]-8H-pyrano[3,2-c]pyridine-2,5-dione

7-methylidene-4-[[(6R)-spiro[2.4]heptan-6-yl]methyl]-8H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 58187509) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 7-methylidene-4-[[(6R)-spiro[2.4]heptan-6-yl]methyl]-8H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name7-methylidene-4-[[(6R)-spiro[2.4]heptan-6-yl]methyl]-8H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID58187509
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name7-methylidene-4-[[(6R)-spiro[2.4]heptan-6-yl]methyl]-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(C[C@@H]3CCC4(CC4)C3)c2C(=O)N1
InChIInChI=1S/C17H19NO3/c1-10-6-13-15(16(20)18-10)12(8-14(19)21-13)7-11-2-3-17(9-11)4-5-17/h8,11H,1-7,9H2,(H,18,20)/t11-/m0/s1
InChIKeyPLVQPFMWEDKOEQ-NSHDSACASA-N
XLogP2.56
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methylidene-4-[[(6R)-spiro[2.4]heptan-6-yl]methyl]-8H-pyrano[3,2-c]pyridine-2,5-dione with MolForge

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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-(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
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
4-(3-cyclopropylpropyl)-3-isocyano-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187364

Frequently Asked Questions

What is the IUPAC name of 7-methylidene-4-[[(6R)-spiro[2.4]heptan-6-yl]methyl]-8H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 7-methylidene-4-[[(6R)-spiro[2.4]heptan-6-yl]methyl]-8H-pyrano[3,2-c]pyridine-2,5-dione (CID 58187509) is 7-methylidene-4-[[(6R)-spiro[2.4]heptan-6-yl]methyl]-8H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 7-methylidene-4-[[(6R)-spiro[2.4]heptan-6-yl]methyl]-8H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 7-methylidene-4-[[(6R)-spiro[2.4]heptan-6-yl]methyl]-8H-pyrano[3,2-c]pyridine-2,5-dione is C=C1Cc2oc(=O)cc(C[C@@H]3CCC4(CC4)C3)c2C(=O)N1.
What is the InChIKey of 7-methylidene-4-[[(6R)-spiro[2.4]heptan-6-yl]methyl]-8H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is PLVQPFMWEDKOEQ-NSHDSACASA-N. The full InChI is InChI=1S/C17H19NO3/c1-10-6-13-15(16(20)18-10)12(8-14(19)21-13)7-11-2-3-17(9-11)4-5-17/h8,11H,1-7,9H2,(H,18,20)/t11-/m0/s1.
What are the key properties of 7-methylidene-4-[[(6R)-spiro[2.4]heptan-6-yl]methyl]-8H-pyrano[3,2-c]pyridine-2,5-dione?
7-methylidene-4-[[(6R)-spiro[2.4]heptan-6-yl]methyl]-8H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 285.34 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-4-[[(6R)-spiro[2.4]heptan-6-yl]methyl]-8H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 58187509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).