(3-ethoxypyrrolidin-2-ylidene)methanone

C7H11NO2 — CID 176538797

IUPAC(3-ethoxypyrrolidin-2-ylidene)methanone
SMILESCCOC1CCNC1=C=O
InChIInChI=1S/C7H11NO2/c1-2-10-7-3-4-8-6(7)5-9/h7-8H,2-4H2,1H3
InChIKeyHWEQPLPLYNCCGR-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.10
Rot. Bonds2

About (3-ethoxypyrrolidin-2-ylidene)methanone

(3-ethoxypyrrolidin-2-ylidene)methanone (PubChem CID 176538797) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (3-ethoxypyrrolidin-2-ylidene)methanone.

Molecular Properties

Compound Name(3-ethoxypyrrolidin-2-ylidene)methanone
PubChem CID176538797
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(3-ethoxypyrrolidin-2-ylidene)methanone
SMILESCCOC1CCNC1=C=O
InChIInChI=1S/C7H11NO2/c1-2-10-7-3-4-8-6(7)5-9/h7-8H,2-4H2,1H3
InChIKeyHWEQPLPLYNCCGR-UHFFFAOYSA-N
XLogP0.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxypyrrolidin-2-ylidene)methanone?
The IUPAC name of (3-ethoxypyrrolidin-2-ylidene)methanone (CID 176538797) is (3-ethoxypyrrolidin-2-ylidene)methanone.
What is the SMILES notation for (3-ethoxypyrrolidin-2-ylidene)methanone?
The canonical SMILES for (3-ethoxypyrrolidin-2-ylidene)methanone is CCOC1CCNC1=C=O.
What is the InChIKey of (3-ethoxypyrrolidin-2-ylidene)methanone?
The InChIKey is HWEQPLPLYNCCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-10-7-3-4-8-6(7)5-9/h7-8H,2-4H2,1H3.
What are the key properties of (3-ethoxypyrrolidin-2-ylidene)methanone?
(3-ethoxypyrrolidin-2-ylidene)methanone has a molecular weight of 141.17 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxypyrrolidin-2-ylidene)methanone is sourced from PubChem (CID 176538797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).