N-[(Z)-but-2-enyl]oxane-4-carboxamide

C10H17NO2 — CID 138605594

IUPACN-[(Z)-but-2-enyl]oxane-4-carboxamide
SMILESC/C=C\CNC(=O)C1CCOCC1
InChIInChI=1S/C10H17NO2/c1-2-3-6-11-10(12)9-4-7-13-8-5-9/h2-3,9H,4-8H2,1H3,(H,11,12)/b3-2-
InChIKeyGEQKTEMLFRFBMS-IHWYPQMZSA-N
MW183.25 g/mol
LogP1.11
Rot. Bonds3

About N-[(Z)-but-2-enyl]oxane-4-carboxamide

N-[(Z)-but-2-enyl]oxane-4-carboxamide (PubChem CID 138605594) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[(Z)-but-2-enyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-but-2-enyl]oxane-4-carboxamide
PubChem CID138605594
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[(Z)-but-2-enyl]oxane-4-carboxamide
SMILESC/C=C\CNC(=O)C1CCOCC1
InChIInChI=1S/C10H17NO2/c1-2-3-6-11-10(12)9-4-7-13-8-5-9/h2-3,9H,4-8H2,1H3,(H,11,12)/b3-2-
InChIKeyGEQKTEMLFRFBMS-IHWYPQMZSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.11
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-[(Z)-but-2-enyl]oxane-4-carboxamide?
The IUPAC name of N-[(Z)-but-2-enyl]oxane-4-carboxamide (CID 138605594) is N-[(Z)-but-2-enyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(Z)-but-2-enyl]oxane-4-carboxamide?
The canonical SMILES for N-[(Z)-but-2-enyl]oxane-4-carboxamide is C/C=C\CNC(=O)C1CCOCC1.
What is the InChIKey of N-[(Z)-but-2-enyl]oxane-4-carboxamide?
The InChIKey is GEQKTEMLFRFBMS-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-6-11-10(12)9-4-7-13-8-5-9/h2-3,9H,4-8H2,1H3,(H,11,12)/b3-2-.
What are the key properties of N-[(Z)-but-2-enyl]oxane-4-carboxamide?
N-[(Z)-but-2-enyl]oxane-4-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-enyl]oxane-4-carboxamide is sourced from PubChem (CID 138605594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).