N-(1-cyanoethyl)-3,4-dihydro-2H-pyran-2-carboxamide

C9H12N2O2 — CID 130725490

IUPACN-(1-cyanoethyl)-3,4-dihydro-2H-pyran-2-carboxamide
SMILESCC(C#N)NC(=O)C1CCC=CO1
InChIInChI=1S/C9H12N2O2/c1-7(6-10)11-9(12)8-4-2-3-5-13-8/h3,5,7-8H,2,4H2,1H3,(H,11,12)
InChIKeyKBDDFWWOVKVLBP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.71
Rot. Bonds2

About N-(1-cyanoethyl)-3,4-dihydro-2H-pyran-2-carboxamide

N-(1-cyanoethyl)-3,4-dihydro-2H-pyran-2-carboxamide (PubChem CID 130725490) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(1-cyanoethyl)-3,4-dihydro-2H-pyran-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-3,4-dihydro-2H-pyran-2-carboxamide
PubChem CID130725490
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-(1-cyanoethyl)-3,4-dihydro-2H-pyran-2-carboxamide
SMILESCC(C#N)NC(=O)C1CCC=CO1
InChIInChI=1S/C9H12N2O2/c1-7(6-10)11-9(12)8-4-2-3-5-13-8/h3,5,7-8H,2,4H2,1H3,(H,11,12)
InChIKeyKBDDFWWOVKVLBP-UHFFFAOYSA-N
XLogP0.71
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-2-carboxamide
CID 126996521
1-(3,4-dihydro-2H-pyran-2-carbonyl)aziridine-2-carbonitrile
CID 23461643
N-methyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 131225571
(2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 140985242
2-cyano-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide
CID 91618592
N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-2-carboxamide
CID 126987464
N-propan-2-yl-3,4-dihydro-2H-pyran-2-carboxamide
CID 127012090
N-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 130635445
N-(2-methylprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide
CID 130684849
N-(2-hydroxypropyl)-3,4-dihydro-2H-pyran-2-carboxamide
CID 130694220
N-(2-cyanoethyl)-3,4-dihydro-2H-pyran-2-carboxamide
CID 130723793
N-ethyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 130738609

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-3,4-dihydro-2H-pyran-2-carboxamide?
The IUPAC name of N-(1-cyanoethyl)-3,4-dihydro-2H-pyran-2-carboxamide (CID 130725490) is N-(1-cyanoethyl)-3,4-dihydro-2H-pyran-2-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)-3,4-dihydro-2H-pyran-2-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)-3,4-dihydro-2H-pyran-2-carboxamide is CC(C#N)NC(=O)C1CCC=CO1.
What is the InChIKey of N-(1-cyanoethyl)-3,4-dihydro-2H-pyran-2-carboxamide?
The InChIKey is KBDDFWWOVKVLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(6-10)11-9(12)8-4-2-3-5-13-8/h3,5,7-8H,2,4H2,1H3,(H,11,12).
What are the key properties of N-(1-cyanoethyl)-3,4-dihydro-2H-pyran-2-carboxamide?
N-(1-cyanoethyl)-3,4-dihydro-2H-pyran-2-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-3,4-dihydro-2H-pyran-2-carboxamide is sourced from PubChem (CID 130725490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).