(3E)-3-(aminomethylidene)-4-iminopyrrolidin-2-one

C5H7N3O — CID 163788337

IUPAC(3E)-3-(aminomethylidene)-4-iminopyrrolidin-2-one
SMILES[H]/N=C1\CNC(=O)\C1=C\N
InChIInChI=1S/C5H7N3O/c6-1-3-4(7)2-8-5(3)9/h1,7H,2,6H2,(H,8,9)/b3-1+,7-4+
InChIKeyMUMRZWLSXZBFHQ-FDMJTUIOSA-N
MW125.13 g/mol
LogP-1.02
Rot. Bonds

About (3E)-3-(aminomethylidene)-4-iminopyrrolidin-2-one

(3E)-3-(aminomethylidene)-4-iminopyrrolidin-2-one (PubChem CID 163788337) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is (3E)-3-(aminomethylidene)-4-iminopyrrolidin-2-one.

Molecular Properties

Compound Name(3E)-3-(aminomethylidene)-4-iminopyrrolidin-2-one
PubChem CID163788337
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name(3E)-3-(aminomethylidene)-4-iminopyrrolidin-2-one
SMILES[H]/N=C1\CNC(=O)\C1=C\N
InChIInChI=1S/C5H7N3O/c6-1-3-4(7)2-8-5(3)9/h1,7H,2,6H2,(H,8,9)/b3-1+,7-4+
InChIKeyMUMRZWLSXZBFHQ-FDMJTUIOSA-N
XLogP-1.02
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-ethenyl-3-methanimidoyl-1,2-dihydropyrrol-5-one
CID 144576255
3-ethylideneazetidin-2-one
CID 71337258
1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 71356739
3-sulfanylideneazetidin-2-one
CID 18795137
(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyrrolidin-2-one
CID 143806885
3-(piperidin-1-ylmethylidene)pyrrolidine-2,4-dione
CID 3428337
ethane;(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyrrolidin-2-one
CID 143806884
(3E,4E)-3-ethylidene-4-propylidenepyrrolidin-2-one
CID 170059513
aziridin-2-one
CID 158991665
ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one
CID 145152777
(4Z)-4-butylidene-5,6,7,8-tetramethyl-1,2-dihydroisoquinolin-3-one
CID 59300063
3-[(4-methylpiperazin-1-yl)methylidene]pyrrolidine-2,4-dione
CID 3250934

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(aminomethylidene)-4-iminopyrrolidin-2-one?
The IUPAC name of (3E)-3-(aminomethylidene)-4-iminopyrrolidin-2-one (CID 163788337) is (3E)-3-(aminomethylidene)-4-iminopyrrolidin-2-one.
What is the SMILES notation for (3E)-3-(aminomethylidene)-4-iminopyrrolidin-2-one?
The canonical SMILES for (3E)-3-(aminomethylidene)-4-iminopyrrolidin-2-one is [H]/N=C1\CNC(=O)\C1=C\N.
What is the InChIKey of (3E)-3-(aminomethylidene)-4-iminopyrrolidin-2-one?
The InChIKey is MUMRZWLSXZBFHQ-FDMJTUIOSA-N. The full InChI is InChI=1S/C5H7N3O/c6-1-3-4(7)2-8-5(3)9/h1,7H,2,6H2,(H,8,9)/b3-1+,7-4+.
What are the key properties of (3E)-3-(aminomethylidene)-4-iminopyrrolidin-2-one?
(3E)-3-(aminomethylidene)-4-iminopyrrolidin-2-one has a molecular weight of 125.13 g/mol, XLogP of -1.02, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(aminomethylidene)-4-iminopyrrolidin-2-one is sourced from PubChem (CID 163788337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).