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

C9H12N2O2 — CID 126987464

IUPACN-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-2-carboxamide
SMILESC[C@@H](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)/t7-,8?/m0/s1
InChIKeyKBDDFWWOVKVLBP-JAMMHHFISA-N
MW180.21 g/mol
LogP0.71
Rot. Bonds2

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

N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-2-carboxamide (PubChem CID 126987464) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-2-carboxamide
PubChem CID126987464
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-2-carboxamide
SMILESC[C@@H](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)/t7-,8?/m0/s1
InChIKeyKBDDFWWOVKVLBP-JAMMHHFISA-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

Analyze N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-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-(1-cyanoethyl)-3,4-dihydro-2H-pyran-2-carboxamide
CID 130725490
N-ethyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 130738609

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-2-carboxamide?
The IUPAC name of N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-2-carboxamide (CID 126987464) is N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-2-carboxamide?
The canonical SMILES for N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-2-carboxamide is C[C@@H](C#N)NC(=O)C1CCC=CO1.
What is the InChIKey of N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-2-carboxamide?
The InChIKey is KBDDFWWOVKVLBP-JAMMHHFISA-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)/t7-,8?/m0/s1.
What are the key properties of N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-2-carboxamide?
N-[(1S)-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-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-2-carboxamide is sourced from PubChem (CID 126987464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).