2-cyano-N-(3,6-dihydro-2H-pyran-4-ylmethyl)propanamide

C10H14N2O2 — CID 127017022

IUPAC2-cyano-N-(3,6-dihydro-2H-pyran-4-ylmethyl)propanamide
SMILESCC(C#N)C(=O)NCC1=CCOCC1
InChIInChI=1S/C10H14N2O2/c1-8(6-11)10(13)12-7-9-2-4-14-5-3-9/h2,8H,3-5,7H2,1H3,(H,12,13)
InChIKeyZPKGCQIUIVZUGN-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.61
Rot. Bonds3

About 2-cyano-N-(3,6-dihydro-2H-pyran-4-ylmethyl)propanamide

2-cyano-N-(3,6-dihydro-2H-pyran-4-ylmethyl)propanamide (PubChem CID 127017022) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-cyano-N-(3,6-dihydro-2H-pyran-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(3,6-dihydro-2H-pyran-4-ylmethyl)propanamide
PubChem CID127017022
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-cyano-N-(3,6-dihydro-2H-pyran-4-ylmethyl)propanamide
SMILESCC(C#N)C(=O)NCC1=CCOCC1
InChIInChI=1S/C10H14N2O2/c1-8(6-11)10(13)12-7-9-2-4-14-5-3-9/h2,8H,3-5,7H2,1H3,(H,12,13)
InChIKeyZPKGCQIUIVZUGN-UHFFFAOYSA-N
XLogP0.61
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyano-N-(3,6-dihydro-2H-pyran-4-ylmethyl)propanamide 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-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide
CID 58548429
N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide
CID 70641338
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide
CID 130973897
N-butyl-2-(3,6-dihydro-2H-pyran-5-yl)acetamide
CID 10954508
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(methylamino)butan-1-one
CID 114409707
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 114409727
3-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114409776
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(methylamino)propan-1-one
CID 114409816
3-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 114409820
3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 114409876
3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-3-oxopropanenitrile
CID 114409975
3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropanenitrile
CID 114409983

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3,6-dihydro-2H-pyran-4-ylmethyl)propanamide?
The IUPAC name of 2-cyano-N-(3,6-dihydro-2H-pyran-4-ylmethyl)propanamide (CID 127017022) is 2-cyano-N-(3,6-dihydro-2H-pyran-4-ylmethyl)propanamide.
What is the SMILES notation for 2-cyano-N-(3,6-dihydro-2H-pyran-4-ylmethyl)propanamide?
The canonical SMILES for 2-cyano-N-(3,6-dihydro-2H-pyran-4-ylmethyl)propanamide is CC(C#N)C(=O)NCC1=CCOCC1.
What is the InChIKey of 2-cyano-N-(3,6-dihydro-2H-pyran-4-ylmethyl)propanamide?
The InChIKey is ZPKGCQIUIVZUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(6-11)10(13)12-7-9-2-4-14-5-3-9/h2,8H,3-5,7H2,1H3,(H,12,13).
What are the key properties of 2-cyano-N-(3,6-dihydro-2H-pyran-4-ylmethyl)propanamide?
2-cyano-N-(3,6-dihydro-2H-pyran-4-ylmethyl)propanamide has a molecular weight of 194.23 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3,6-dihydro-2H-pyran-4-ylmethyl)propanamide is sourced from PubChem (CID 127017022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).