(3E,4E)-3-ethylidene-4-propylidenepyrrolidin-2-one

C9H13NO — CID 170059513

IUPAC(3E,4E)-3-ethylidene-4-propylidenepyrrolidin-2-one
SMILESC/C=C1/C(=O)NC/C1=C/CC
InChIInChI=1S/C9H13NO/c1-3-5-7-6-10-9(11)8(7)4-2/h4-5H,3,6H2,1-2H3,(H,10,11)/b7-5-,8-4+
InChIKeyRBANQQRYYNKWKX-DZAKWUEVSA-N
MW151.21 g/mol
LogP1.40
Rot. Bonds1

About (3E,4E)-3-ethylidene-4-propylidenepyrrolidin-2-one

(3E,4E)-3-ethylidene-4-propylidenepyrrolidin-2-one (PubChem CID 170059513) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (3E,4E)-3-ethylidene-4-propylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(3E,4E)-3-ethylidene-4-propylidenepyrrolidin-2-one
PubChem CID170059513
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(3E,4E)-3-ethylidene-4-propylidenepyrrolidin-2-one
SMILESC/C=C1/C(=O)NC/C1=C/CC
InChIInChI=1S/C9H13NO/c1-3-5-7-6-10-9(11)8(7)4-2/h4-5H,3,6H2,1-2H3,(H,10,11)/b7-5-,8-4+
InChIKeyRBANQQRYYNKWKX-DZAKWUEVSA-N
XLogP1.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-Ethylidenepyrrolidin-2-one
CID 20088381
3-Ethylidenepyrrolidin-2-one
CID 53701396
(3Z)-3-ethylidenepyrrolidin-2-one
CID 5317249
2-methyl-N-(3-pyrrolidin-1-ylpropyl)pent-2-enamide
CID 72156044
(4E)-4-[(E)-2-fluorohex-2-enylidene]pyrrolidine-2,3-dione
CID 142984802
(3Z)-3-[(E)-1-amino-2-fluorobut-2-enylidene]-4-methylidenepyrrolidin-2-one
CID 145315235
(3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
CID 154709685
(2E,4E)-N-butyl-5-fluoro-2-[(E)-2-methylbut-1-enyl]hexa-2,4-dienamide
CID 170732937
(Z)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pent-2-enamide
CID 45811744
3-Propan-2-ylidenepyrrolidin-2-one
CID 10749180
N-propan-2-ylcyclopenta-1,3-diene-1-carboxamide
CID 12173347
(3E)-3-ethylidene-1-methylpyrrolidin-2-one
CID 20646595

Frequently Asked Questions

What is the IUPAC name of (3E,4E)-3-ethylidene-4-propylidenepyrrolidin-2-one?
The IUPAC name of (3E,4E)-3-ethylidene-4-propylidenepyrrolidin-2-one (CID 170059513) is (3E,4E)-3-ethylidene-4-propylidenepyrrolidin-2-one.
What is the SMILES notation for (3E,4E)-3-ethylidene-4-propylidenepyrrolidin-2-one?
The canonical SMILES for (3E,4E)-3-ethylidene-4-propylidenepyrrolidin-2-one is C/C=C1/C(=O)NC/C1=C/CC.
What is the InChIKey of (3E,4E)-3-ethylidene-4-propylidenepyrrolidin-2-one?
The InChIKey is RBANQQRYYNKWKX-DZAKWUEVSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-5-7-6-10-9(11)8(7)4-2/h4-5H,3,6H2,1-2H3,(H,10,11)/b7-5-,8-4+.
What are the key properties of (3E,4E)-3-ethylidene-4-propylidenepyrrolidin-2-one?
(3E,4E)-3-ethylidene-4-propylidenepyrrolidin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-3-ethylidene-4-propylidenepyrrolidin-2-one is sourced from PubChem (CID 170059513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).