N-prop-2-enyl-3,6-dihydro-2H-pyran-4-carboxamide

C9H13NO2 — CID 130675976

IUPACN-prop-2-enyl-3,6-dihydro-2H-pyran-4-carboxamide
SMILESC=CCNC(=O)C1=CCOCC1
InChIInChI=1S/C9H13NO2/c1-2-5-10-9(11)8-3-6-12-7-4-8/h2-3H,1,4-7H2,(H,10,11)
InChIKeyXOIKSLNRGCSLBG-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.64
Rot. Bonds3

About N-prop-2-enyl-3,6-dihydro-2H-pyran-4-carboxamide

N-prop-2-enyl-3,6-dihydro-2H-pyran-4-carboxamide (PubChem CID 130675976) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-prop-2-enyl-3,6-dihydro-2H-pyran-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-3,6-dihydro-2H-pyran-4-carboxamide
PubChem CID130675976
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-prop-2-enyl-3,6-dihydro-2H-pyran-4-carboxamide
SMILESC=CCNC(=O)C1=CCOCC1
InChIInChI=1S/C9H13NO2/c1-2-5-10-9(11)8-3-6-12-7-4-8/h2-3H,1,4-7H2,(H,10,11)
InChIKeyXOIKSLNRGCSLBG-UHFFFAOYSA-N
XLogP0.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.64
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-prop-2-enyl-3,6-dihydro-2H-pyran-4-carboxamide?
The IUPAC name of N-prop-2-enyl-3,6-dihydro-2H-pyran-4-carboxamide (CID 130675976) is N-prop-2-enyl-3,6-dihydro-2H-pyran-4-carboxamide.
What is the SMILES notation for N-prop-2-enyl-3,6-dihydro-2H-pyran-4-carboxamide?
The canonical SMILES for N-prop-2-enyl-3,6-dihydro-2H-pyran-4-carboxamide is C=CCNC(=O)C1=CCOCC1.
What is the InChIKey of N-prop-2-enyl-3,6-dihydro-2H-pyran-4-carboxamide?
The InChIKey is XOIKSLNRGCSLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-5-10-9(11)8-3-6-12-7-4-8/h2-3H,1,4-7H2,(H,10,11).
What are the key properties of N-prop-2-enyl-3,6-dihydro-2H-pyran-4-carboxamide?
N-prop-2-enyl-3,6-dihydro-2H-pyran-4-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3,6-dihydro-2H-pyran-4-carboxamide is sourced from PubChem (CID 130675976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).