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

C16H16N2O3 — CID 58187364

IUPAC4-(3-cyclopropylpropyl)-3-isocyano-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILES[C-]#[N+]c1c(CCCC2CC2)c2c(oc1=O)CC(=C)NC2=O
InChIInChI=1S/C16H16N2O3/c1-9-8-12-13(15(19)18-9)11(5-3-4-10-6-7-10)14(17-2)16(20)21-12/h10H,1,3-8H2,(H,18,19)
InChIKeyWENUSUMONUBYCX-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.72
Rot. Bonds4

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

4-(3-cyclopropylpropyl)-3-isocyano-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 58187364) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-(3-cyclopropylpropyl)-3-isocyano-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(3-cyclopropylpropyl)-3-isocyano-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID58187364
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name4-(3-cyclopropylpropyl)-3-isocyano-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILES[C-]#[N+]c1c(CCCC2CC2)c2c(oc1=O)CC(=C)NC2=O
InChIInChI=1S/C16H16N2O3/c1-9-8-12-13(15(19)18-9)11(5-3-4-10-6-7-10)14(17-2)16(20)21-12/h10H,1,3-8H2,(H,18,19)
InChIKeyWENUSUMONUBYCX-UHFFFAOYSA-N
XLogP2.72
TPSA63.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

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-(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-[(4-methylcyclohexyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187377
4-[3-(1-ethylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187384
4-[2-(2-ethylcyclopropyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187400

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylpropyl)-3-isocyano-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-(3-cyclopropylpropyl)-3-isocyano-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (CID 58187364) is 4-(3-cyclopropylpropyl)-3-isocyano-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-(3-cyclopropylpropyl)-3-isocyano-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-(3-cyclopropylpropyl)-3-isocyano-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is [C-]#[N+]c1c(CCCC2CC2)c2c(oc1=O)CC(=C)NC2=O.
What is the InChIKey of 4-(3-cyclopropylpropyl)-3-isocyano-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is WENUSUMONUBYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-8-12-13(15(19)18-9)11(5-3-4-10-6-7-10)14(17-2)16(20)21-12/h10H,1,3-8H2,(H,18,19).
What are the key properties of 4-(3-cyclopropylpropyl)-3-isocyano-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
4-(3-cyclopropylpropyl)-3-isocyano-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 284.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylpropyl)-3-isocyano-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 58187364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).