N-ethyl-N-prop-2-enyloxolane-2-carboxamide

C10H17NO2 — CID 84558498

IUPACN-ethyl-N-prop-2-enyloxolane-2-carboxamide
SMILESC=CCN(CC)C(=O)C1CCCO1
InChIInChI=1S/C10H17NO2/c1-3-7-11(4-2)10(12)9-6-5-8-13-9/h3,9H,1,4-8H2,2H3
InChIKeyKSQNBAHYJAWIDW-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds4

About N-ethyl-N-prop-2-enyloxolane-2-carboxamide

N-ethyl-N-prop-2-enyloxolane-2-carboxamide (PubChem CID 84558498) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-ethyl-N-prop-2-enyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-prop-2-enyloxolane-2-carboxamide
PubChem CID84558498
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-ethyl-N-prop-2-enyloxolane-2-carboxamide
SMILESC=CCN(CC)C(=O)C1CCCO1
InChIInChI=1S/C10H17NO2/c1-3-7-11(4-2)10(12)9-6-5-8-13-9/h3,9H,1,4-8H2,2H3
InChIKeyKSQNBAHYJAWIDW-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
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-ethyl-N-prop-2-enyloxolane-2-carboxamide?
The IUPAC name of N-ethyl-N-prop-2-enyloxolane-2-carboxamide (CID 84558498) is N-ethyl-N-prop-2-enyloxolane-2-carboxamide.
What is the SMILES notation for N-ethyl-N-prop-2-enyloxolane-2-carboxamide?
The canonical SMILES for N-ethyl-N-prop-2-enyloxolane-2-carboxamide is C=CCN(CC)C(=O)C1CCCO1.
What is the InChIKey of N-ethyl-N-prop-2-enyloxolane-2-carboxamide?
The InChIKey is KSQNBAHYJAWIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-7-11(4-2)10(12)9-6-5-8-13-9/h3,9H,1,4-8H2,2H3.
What are the key properties of N-ethyl-N-prop-2-enyloxolane-2-carboxamide?
N-ethyl-N-prop-2-enyloxolane-2-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-enyloxolane-2-carboxamide is sourced from PubChem (CID 84558498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).