N-(cyanomethyl)-N-methyl-2,3-dihydrofuran-5-carboxamide

C8H10N2O2 — CID 130727660

IUPACN-(cyanomethyl)-N-methyl-2,3-dihydrofuran-5-carboxamide
SMILESCN(CC#N)C(=O)C1=CCCO1
InChIInChI=1S/C8H10N2O2/c1-10(5-4-9)8(11)7-3-2-6-12-7/h3H,2,5-6H2,1H3
InChIKeyJHAZUHBRRJDUTK-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.27
Rot. Bonds2

About N-(cyanomethyl)-N-methyl-2,3-dihydrofuran-5-carboxamide

N-(cyanomethyl)-N-methyl-2,3-dihydrofuran-5-carboxamide (PubChem CID 130727660) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is N-(cyanomethyl)-N-methyl-2,3-dihydrofuran-5-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-methyl-2,3-dihydrofuran-5-carboxamide
PubChem CID130727660
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC NameN-(cyanomethyl)-N-methyl-2,3-dihydrofuran-5-carboxamide
SMILESCN(CC#N)C(=O)C1=CCCO1
InChIInChI=1S/C8H10N2O2/c1-10(5-4-9)8(11)7-3-2-6-12-7/h3H,2,5-6H2,1H3
InChIKeyJHAZUHBRRJDUTK-UHFFFAOYSA-N
XLogP0.27
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydrofuran-5-yl-(3-fluoro-3-methylazetidin-1-yl)methanone
CID 131155717
N,N-diethyl-2-methyl-2H-oxete-4-carboxamide
CID 91548393
N,N-bis(2-hydroxyethyl)-2,3-dihydrofuran-5-carboxamide
CID 123589572
2,3-Dihydrofuran-5-yl-(4-methylpiperazin-1-yl)methanone
CID 143306085
N-[2-(methylamino)ethyl]-2,3-dihydrofuran-5-carboxamide
CID 164089218
3-Ethoxy-1-ethylpyrrole-2,5-dione
CID 174672722
N-(Cyanomethyl)-N-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 71970872
2,3-dihydrofuran-5-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 126997749
N-cyclobutyl-N-methyl-2,3-dihydrofuran-5-carboxamide
CID 130613652
N-(1-cyanoethyl)-2,3-dihydrofuran-5-carboxamide
CID 130616233
N-(2-cyanopropyl)-2,3-dihydrofuran-5-carboxamide
CID 130622160
2,3-Dihydrofuran-5-yl-(3,3-dimethylazetidin-1-yl)methanone
CID 130666860

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-methyl-2,3-dihydrofuran-5-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-methyl-2,3-dihydrofuran-5-carboxamide (CID 130727660) is N-(cyanomethyl)-N-methyl-2,3-dihydrofuran-5-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-methyl-2,3-dihydrofuran-5-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-methyl-2,3-dihydrofuran-5-carboxamide is CN(CC#N)C(=O)C1=CCCO1.
What is the InChIKey of N-(cyanomethyl)-N-methyl-2,3-dihydrofuran-5-carboxamide?
The InChIKey is JHAZUHBRRJDUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10(5-4-9)8(11)7-3-2-6-12-7/h3H,2,5-6H2,1H3.
What are the key properties of N-(cyanomethyl)-N-methyl-2,3-dihydrofuran-5-carboxamide?
N-(cyanomethyl)-N-methyl-2,3-dihydrofuran-5-carboxamide has a molecular weight of 166.18 g/mol, XLogP of 0.27, 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-2,3-dihydrofuran-5-carboxamide is sourced from PubChem (CID 130727660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).