N-(cyanomethyl)-N-methyl-3,6-dihydro-2H-pyran-4-carboxamide

C9H12N2O2 — CID 131182877

IUPACN-(cyanomethyl)-N-methyl-3,6-dihydro-2H-pyran-4-carboxamide
SMILESCN(CC#N)C(=O)C1=CCOCC1
InChIInChI=1S/C9H12N2O2/c1-11(5-4-10)9(12)8-2-6-13-7-3-8/h2H,3,5-7H2,1H3
InChIKeyGLLGUOHHLRTBRI-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.32
Rot. Bonds2

About N-(cyanomethyl)-N-methyl-3,6-dihydro-2H-pyran-4-carboxamide

N-(cyanomethyl)-N-methyl-3,6-dihydro-2H-pyran-4-carboxamide (PubChem CID 131182877) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(cyanomethyl)-N-methyl-3,6-dihydro-2H-pyran-4-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-methyl-3,6-dihydro-2H-pyran-4-carboxamide
PubChem CID131182877
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-(cyanomethyl)-N-methyl-3,6-dihydro-2H-pyran-4-carboxamide
SMILESCN(CC#N)C(=O)C1=CCOCC1
InChIInChI=1S/C9H12N2O2/c1-11(5-4-10)9(12)8-2-6-13-7-3-8/h2H,3,5-7H2,1H3
InChIKeyGLLGUOHHLRTBRI-UHFFFAOYSA-N
XLogP0.32
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-methyl-3,6-dihydro-2H-pyran-4-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-methyl-3,6-dihydro-2H-pyran-4-carboxamide (CID 131182877) is N-(cyanomethyl)-N-methyl-3,6-dihydro-2H-pyran-4-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-methyl-3,6-dihydro-2H-pyran-4-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-methyl-3,6-dihydro-2H-pyran-4-carboxamide is CN(CC#N)C(=O)C1=CCOCC1.
What is the InChIKey of N-(cyanomethyl)-N-methyl-3,6-dihydro-2H-pyran-4-carboxamide?
The InChIKey is GLLGUOHHLRTBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(5-4-10)9(12)8-2-6-13-7-3-8/h2H,3,5-7H2,1H3.
What are the key properties of N-(cyanomethyl)-N-methyl-3,6-dihydro-2H-pyran-4-carboxamide?
N-(cyanomethyl)-N-methyl-3,6-dihydro-2H-pyran-4-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-methyl-3,6-dihydro-2H-pyran-4-carboxamide is sourced from PubChem (CID 131182877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).