ethane;N-(1-prop-2-enoxy-3,6-dihydro-2H-pyridin-3-yl)formamide

C13H26N2O2 — CID 142314362

IUPACethane;N-(1-prop-2-enoxy-3,6-dihydro-2H-pyridin-3-yl)formamide
SMILESC=CCON1CC=CC(NC=O)C1.CC.CC
InChIInChI=1S/C9H14N2O2.2C2H6/c1-2-6-13-11-5-3-4-9(7-11)10-8-12;2*1-2/h2-4,8-9H,1,5-7H2,(H,10,12);2*1-2H3
InChIKeyAXIANHYABNIYHZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.14
Rot. Bonds5

About ethane;N-(1-prop-2-enoxy-3,6-dihydro-2H-pyridin-3-yl)formamide

ethane;N-(1-prop-2-enoxy-3,6-dihydro-2H-pyridin-3-yl)formamide (PubChem CID 142314362) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethane;N-(1-prop-2-enoxy-3,6-dihydro-2H-pyridin-3-yl)formamide.

Molecular Properties

Compound Nameethane;N-(1-prop-2-enoxy-3,6-dihydro-2H-pyridin-3-yl)formamide
PubChem CID142314362
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethane;N-(1-prop-2-enoxy-3,6-dihydro-2H-pyridin-3-yl)formamide
SMILESC=CCON1CC=CC(NC=O)C1.CC.CC
InChIInChI=1S/C9H14N2O2.2C2H6/c1-2-6-13-11-5-3-4-9(7-11)10-8-12;2*1-2/h2-4,8-9H,1,5-7H2,(H,10,12);2*1-2H3
InChIKeyAXIANHYABNIYHZ-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(1-prop-2-enoxy-3,6-dihydro-2H-pyridin-3-yl)formamide?
The IUPAC name of ethane;N-(1-prop-2-enoxy-3,6-dihydro-2H-pyridin-3-yl)formamide (CID 142314362) is ethane;N-(1-prop-2-enoxy-3,6-dihydro-2H-pyridin-3-yl)formamide.
What is the SMILES notation for ethane;N-(1-prop-2-enoxy-3,6-dihydro-2H-pyridin-3-yl)formamide?
The canonical SMILES for ethane;N-(1-prop-2-enoxy-3,6-dihydro-2H-pyridin-3-yl)formamide is C=CCON1CC=CC(NC=O)C1.CC.CC.
What is the InChIKey of ethane;N-(1-prop-2-enoxy-3,6-dihydro-2H-pyridin-3-yl)formamide?
The InChIKey is AXIANHYABNIYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.2C2H6/c1-2-6-13-11-5-3-4-9(7-11)10-8-12;2*1-2/h2-4,8-9H,1,5-7H2,(H,10,12);2*1-2H3.
What are the key properties of ethane;N-(1-prop-2-enoxy-3,6-dihydro-2H-pyridin-3-yl)formamide?
ethane;N-(1-prop-2-enoxy-3,6-dihydro-2H-pyridin-3-yl)formamide has a molecular weight of 242.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1-prop-2-enoxy-3,6-dihydro-2H-pyridin-3-yl)formamide is sourced from PubChem (CID 142314362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).