2-(1-ethylpyrrolidin-2-yl)prop-2-enal

C9H15NO — CID 117266780

IUPAC2-(1-ethylpyrrolidin-2-yl)prop-2-enal
SMILESC=C(C=O)C1CCCN1CC
InChIInChI=1S/C9H15NO/c1-3-10-6-4-5-9(10)8(2)7-11/h7,9H,2-6H2,1H3
InChIKeyPIPXGOHFBKOBFR-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.23
Rot. Bonds3

About 2-(1-ethylpyrrolidin-2-yl)prop-2-enal

2-(1-ethylpyrrolidin-2-yl)prop-2-enal (PubChem CID 117266780) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-2-yl)prop-2-enal.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-2-yl)prop-2-enal
PubChem CID117266780
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(1-ethylpyrrolidin-2-yl)prop-2-enal
SMILESC=C(C=O)C1CCCN1CC
InChIInChI=1S/C9H15NO/c1-3-10-6-4-5-9(10)8(2)7-11/h7,9H,2-6H2,1H3
InChIKeyPIPXGOHFBKOBFR-UHFFFAOYSA-N
XLogP1.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolidin-2-yl)prop-2-enal?
The IUPAC name of 2-(1-ethylpyrrolidin-2-yl)prop-2-enal (CID 117266780) is 2-(1-ethylpyrrolidin-2-yl)prop-2-enal.
What is the SMILES notation for 2-(1-ethylpyrrolidin-2-yl)prop-2-enal?
The canonical SMILES for 2-(1-ethylpyrrolidin-2-yl)prop-2-enal is C=C(C=O)C1CCCN1CC.
What is the InChIKey of 2-(1-ethylpyrrolidin-2-yl)prop-2-enal?
The InChIKey is PIPXGOHFBKOBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-10-6-4-5-9(10)8(2)7-11/h7,9H,2-6H2,1H3.
What are the key properties of 2-(1-ethylpyrrolidin-2-yl)prop-2-enal?
2-(1-ethylpyrrolidin-2-yl)prop-2-enal has a molecular weight of 153.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolidin-2-yl)prop-2-enal is sourced from PubChem (CID 117266780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).