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

C11H16N2O2 — CID 71970872

IUPACN-(cyanomethyl)-N-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC(C)N(CC#N)C(=O)C1=CCCCO1
InChIInChI=1S/C11H16N2O2/c1-9(2)13(7-6-12)11(14)10-5-3-4-8-15-10/h5,9H,3-4,7-8H2,1-2H3
InChIKeyFBCCODTULWYCHR-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.44
Rot. Bonds3

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

N-(cyanomethyl)-N-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 71970872) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(cyanomethyl)-N-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID71970872
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-(cyanomethyl)-N-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC(C)N(CC#N)C(=O)C1=CCCCO1
InChIInChI=1S/C11H16N2O2/c1-9(2)13(7-6-12)11(14)10-5-3-4-8-15-10/h5,9H,3-4,7-8H2,1-2H3
InChIKeyFBCCODTULWYCHR-UHFFFAOYSA-N
XLogP1.44
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.44
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-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 71970872) is N-(cyanomethyl)-N-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is CC(C)N(CC#N)C(=O)C1=CCCCO1.
What is the InChIKey of N-(cyanomethyl)-N-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is FBCCODTULWYCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(2)13(7-6-12)11(14)10-5-3-4-8-15-10/h5,9H,3-4,7-8H2,1-2H3.
What are the key properties of N-(cyanomethyl)-N-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
N-(cyanomethyl)-N-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 71970872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).