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

C8H10N2O2 — CID 130614540

IUPACN-(cyanomethyl)-3,6-dihydro-2H-pyran-4-carboxamide
SMILESN#CCNC(=O)C1=CCOCC1
InChIInChI=1S/C8H10N2O2/c9-3-4-10-8(11)7-1-5-12-6-2-7/h1H,2,4-6H2,(H,10,11)
InChIKeyUOOZMDHMMITFEA-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.03
Rot. Bonds2

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

N-(cyanomethyl)-3,6-dihydro-2H-pyran-4-carboxamide (PubChem CID 130614540) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is N-(cyanomethyl)-3,6-dihydro-2H-pyran-4-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3,6-dihydro-2H-pyran-4-carboxamide
PubChem CID130614540
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC NameN-(cyanomethyl)-3,6-dihydro-2H-pyran-4-carboxamide
SMILESN#CCNC(=O)C1=CCOCC1
InChIInChI=1S/C8H10N2O2/c9-3-4-10-8(11)7-1-5-12-6-2-7/h1H,2,4-6H2,(H,10,11)
InChIKeyUOOZMDHMMITFEA-UHFFFAOYSA-N
XLogP-0.03
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
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)-3,6-dihydro-2H-pyran-4-carboxamide?
The IUPAC name of N-(cyanomethyl)-3,6-dihydro-2H-pyran-4-carboxamide (CID 130614540) is N-(cyanomethyl)-3,6-dihydro-2H-pyran-4-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-3,6-dihydro-2H-pyran-4-carboxamide?
The canonical SMILES for N-(cyanomethyl)-3,6-dihydro-2H-pyran-4-carboxamide is N#CCNC(=O)C1=CCOCC1.
What is the InChIKey of N-(cyanomethyl)-3,6-dihydro-2H-pyran-4-carboxamide?
The InChIKey is UOOZMDHMMITFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-3-4-10-8(11)7-1-5-12-6-2-7/h1H,2,4-6H2,(H,10,11).
What are the key properties of N-(cyanomethyl)-3,6-dihydro-2H-pyran-4-carboxamide?
N-(cyanomethyl)-3,6-dihydro-2H-pyran-4-carboxamide has a molecular weight of 166.18 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3,6-dihydro-2H-pyran-4-carboxamide is sourced from PubChem (CID 130614540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).