N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]formamide

C11H15NO4 — CID 138990076

IUPACN-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]formamide
SMILESCOc1cc(C(NC=O)C(C)C)oc(=O)c1
InChIInChI=1S/C11H15NO4/c1-7(2)11(12-6-13)9-4-8(15-3)5-10(14)16-9/h4-7,11H,1-3H3,(H,12,13)
InChIKeySSCFDSLRBMLPAY-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.09
Rot. Bonds5

About N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]formamide

N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]formamide (PubChem CID 138990076) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]formamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]formamide
PubChem CID138990076
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC NameN-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]formamide
SMILESCOc1cc(C(NC=O)C(C)C)oc(=O)c1
InChIInChI=1S/C11H15NO4/c1-7(2)11(12-6-13)9-4-8(15-3)5-10(14)16-9/h4-7,11H,1-3H3,(H,12,13)
InChIKeySSCFDSLRBMLPAY-UHFFFAOYSA-N
XLogP1.09
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-6-propan-2-ylpyran-2-one
CID 147687142
3-(4-methoxy-6-oxopyran-2-yl)butanoic acid
CID 75368777
6-[(1R)-1,4-dihydroxybutyl]-4-methoxypyran-2-one
CID 170988717
4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one
CID 57325500
6-(1,2-dihydroxyheptyl)-4-methoxypyran-2-one
CID 163065174
(E,3S)-5-(4-methoxy-6-oxopyran-2-yl)-3-methylhex-4-enoic acid
CID 100623149
5-(4-methoxy-6-oxopyran-2-yl)-3-methylhex-4-enoic acid
CID 156603053
N-[1-(4-methoxyphenyl)ethyl]formamide
CID 3115584
4-methoxy-6-(triethylsilylmethyl)pyran-2-one
CID 101008332
4-methoxy-6-(4-methoxyphenyl)pyran-2-one
CID 13237931
4-[6-oxo-4-(2-trimethylsilylethoxymethoxy)pyran-2-yl]pentanal
CID 15551237
4-methoxy-6-[(Z)-2-thiophen-2-ylethenyl]pyran-2-one
CID 92528555

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]formamide?
The IUPAC name of N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]formamide (CID 138990076) is N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]formamide.
What is the SMILES notation for N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]formamide?
The canonical SMILES for N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]formamide is COc1cc(C(NC=O)C(C)C)oc(=O)c1.
What is the InChIKey of N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]formamide?
The InChIKey is SSCFDSLRBMLPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7(2)11(12-6-13)9-4-8(15-3)5-10(14)16-9/h4-7,11H,1-3H3,(H,12,13).
What are the key properties of N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]formamide?
N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]formamide has a molecular weight of 225.24 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]formamide is sourced from PubChem (CID 138990076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).