(2Z)-N,N-diethyl-2-[5-(hydroxymethyl)oxolan-2-ylidene]acetamide

C11H19NO3 — CID 11736013

IUPAC(2Z)-N,N-diethyl-2-[5-(hydroxymethyl)oxolan-2-ylidene]acetamide
SMILESCCN(CC)C(=O)/C=C1/CCC(CO)O1
InChIInChI=1S/C11H19NO3/c1-3-12(4-2)11(14)7-9-5-6-10(8-13)15-9/h7,10,13H,3-6,8H2,1-2H3/b9-7-
InChIKeyHMLAKIFDRAKWMC-CLFYSBASSA-N
MW213.28 g/mol
LogP0.91
Rot. Bonds4

About (2Z)-N,N-diethyl-2-[5-(hydroxymethyl)oxolan-2-ylidene]acetamide

(2Z)-N,N-diethyl-2-[5-(hydroxymethyl)oxolan-2-ylidene]acetamide (PubChem CID 11736013) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2Z)-N,N-diethyl-2-[5-(hydroxymethyl)oxolan-2-ylidene]acetamide.

Molecular Properties

Compound Name(2Z)-N,N-diethyl-2-[5-(hydroxymethyl)oxolan-2-ylidene]acetamide
PubChem CID11736013
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2Z)-N,N-diethyl-2-[5-(hydroxymethyl)oxolan-2-ylidene]acetamide
SMILESCCN(CC)C(=O)/C=C1/CCC(CO)O1
InChIInChI=1S/C11H19NO3/c1-3-12(4-2)11(14)7-9-5-6-10(8-13)15-9/h7,10,13H,3-6,8H2,1-2H3/b9-7-
InChIKeyHMLAKIFDRAKWMC-CLFYSBASSA-N
XLogP0.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N,N-diethyl-2-[5-(hydroxymethyl)oxolan-2-ylidene]acetamide?
The IUPAC name of (2Z)-N,N-diethyl-2-[5-(hydroxymethyl)oxolan-2-ylidene]acetamide (CID 11736013) is (2Z)-N,N-diethyl-2-[5-(hydroxymethyl)oxolan-2-ylidene]acetamide.
What is the SMILES notation for (2Z)-N,N-diethyl-2-[5-(hydroxymethyl)oxolan-2-ylidene]acetamide?
The canonical SMILES for (2Z)-N,N-diethyl-2-[5-(hydroxymethyl)oxolan-2-ylidene]acetamide is CCN(CC)C(=O)/C=C1/CCC(CO)O1.
What is the InChIKey of (2Z)-N,N-diethyl-2-[5-(hydroxymethyl)oxolan-2-ylidene]acetamide?
The InChIKey is HMLAKIFDRAKWMC-CLFYSBASSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-12(4-2)11(14)7-9-5-6-10(8-13)15-9/h7,10,13H,3-6,8H2,1-2H3/b9-7-.
What are the key properties of (2Z)-N,N-diethyl-2-[5-(hydroxymethyl)oxolan-2-ylidene]acetamide?
(2Z)-N,N-diethyl-2-[5-(hydroxymethyl)oxolan-2-ylidene]acetamide has a molecular weight of 213.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,N-diethyl-2-[5-(hydroxymethyl)oxolan-2-ylidene]acetamide is sourced from PubChem (CID 11736013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).