2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide

C10H14N2O2 — CID 130783814

IUPAC2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide
SMILESCC(C#N)C(=O)NCC1=CCCOC1
InChIInChI=1S/C10H14N2O2/c1-8(5-11)10(13)12-6-9-3-2-4-14-7-9/h3,8H,2,4,6-7H2,1H3,(H,12,13)
InChIKeyWTFHUTZDDLAYHW-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.61
Rot. Bonds3

About 2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide

2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide (PubChem CID 130783814) 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-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide
PubChem CID130783814
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide
SMILESCC(C#N)C(=O)NCC1=CCCOC1
InChIInChI=1S/C10H14N2O2/c1-8(5-11)10(13)12-6-9-3-2-4-14-7-9/h3,8H,2,4,6-7H2,1H3,(H,12,13)
InChIKeyWTFHUTZDDLAYHW-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'}

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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
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylpropanamide
CID 115674391
N-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]-2-methylpropanamide
CID 115741775
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylacetamide
CID 115741784
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide
CID 115741887
4-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,N-dimethylbutanamide
CID 115741926
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,2,2-trimethylpropanamide
CID 115749006
N-[(5,6-dihydro-2H-pyran-3-yl)methyl]prop-2-enamide
CID 121581690
2-cyano-N-(3,6-dihydro-2H-pyran-4-ylmethyl)propanamide
CID 127017022
2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)acetamide
CID 130658625
2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropanamide
CID 130820280

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide?
The IUPAC name of 2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide (CID 130783814) is 2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide.
What is the SMILES notation for 2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide?
The canonical SMILES for 2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide is CC(C#N)C(=O)NCC1=CCCOC1.
What is the InChIKey of 2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide?
The InChIKey is WTFHUTZDDLAYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(5-11)10(13)12-6-9-3-2-4-14-7-9/h3,8H,2,4,6-7H2,1H3,(H,12,13).
What are the key properties of 2-cyano-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide?
2-cyano-N-(3,6-dihydro-2H-pyran-5-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-5-ylmethyl)propanamide is sourced from PubChem (CID 130783814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).