N-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyran-4-carboxamide

C10H15NO2 — CID 130676019

IUPACN-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyran-4-carboxamide
SMILESC=C(C)CNC(=O)C1=CCOCC1
InChIInChI=1S/C10H15NO2/c1-8(2)7-11-10(12)9-3-5-13-6-4-9/h3H,1,4-7H2,2H3,(H,11,12)
InChIKeyMSNHCVUJPTUZHF-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.03
Rot. Bonds3

About N-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyran-4-carboxamide

N-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyran-4-carboxamide (PubChem CID 130676019) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyran-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyran-4-carboxamide
PubChem CID130676019
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyran-4-carboxamide
SMILESC=C(C)CNC(=O)C1=CCOCC1
InChIInChI=1S/C10H15NO2/c1-8(2)7-11-10(12)9-3-5-13-6-4-9/h3H,1,4-7H2,2H3,(H,11,12)
InChIKeyMSNHCVUJPTUZHF-UHFFFAOYSA-N
XLogP1.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyran-4-carboxamide?
The IUPAC name of N-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyran-4-carboxamide (CID 130676019) is N-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyran-4-carboxamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyran-4-carboxamide?
The canonical SMILES for N-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyran-4-carboxamide is C=C(C)CNC(=O)C1=CCOCC1.
What is the InChIKey of N-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyran-4-carboxamide?
The InChIKey is MSNHCVUJPTUZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(2)7-11-10(12)9-3-5-13-6-4-9/h3H,1,4-7H2,2H3,(H,11,12).
What are the key properties of N-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyran-4-carboxamide?
N-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyran-4-carboxamide has a molecular weight of 181.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyran-4-carboxamide is sourced from PubChem (CID 130676019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).