(4Z)-4-(aminomethylidene)-5-imino-3,3-dimethyl-1-pentan-3-ylpyrrolidin-2-one

C12H21N3O — CID 136603565

IUPAC(4Z)-4-(aminomethylidene)-5-imino-3,3-dimethyl-1-pentan-3-ylpyrrolidin-2-one
SMILES[H]/N=C1C(=C\N)/C(C)(C)C(=O)N/1C(CC)CC
InChIInChI=1S/C12H21N3O/c1-5-8(6-2)15-10(14)9(7-13)12(3,4)11(15)16/h7-8,14H,5-6,13H2,1-4H3/b9-7+,14-10-
InChIKeyYKVFFQSFBJCVNW-HWHFYWTASA-N
MW223.32 g/mol
LogP1.86
Rot. Bonds3

About (4Z)-4-(aminomethylidene)-5-imino-3,3-dimethyl-1-pentan-3-ylpyrrolidin-2-one

(4Z)-4-(aminomethylidene)-5-imino-3,3-dimethyl-1-pentan-3-ylpyrrolidin-2-one (PubChem CID 136603565) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (4Z)-4-(aminomethylidene)-5-imino-3,3-dimethyl-1-pentan-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4Z)-4-(aminomethylidene)-5-imino-3,3-dimethyl-1-pentan-3-ylpyrrolidin-2-one
PubChem CID136603565
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(4Z)-4-(aminomethylidene)-5-imino-3,3-dimethyl-1-pentan-3-ylpyrrolidin-2-one
SMILES[H]/N=C1C(=C\N)/C(C)(C)C(=O)N/1C(CC)CC
InChIInChI=1S/C12H21N3O/c1-5-8(6-2)15-10(14)9(7-13)12(3,4)11(15)16/h7-8,14H,5-6,13H2,1-4H3/b9-7+,14-10-
InChIKeyYKVFFQSFBJCVNW-HWHFYWTASA-N
XLogP1.86
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(aminomethylidene)-5-imino-3,3-dimethyl-1-pentan-3-ylpyrrolidin-2-one?
The IUPAC name of (4Z)-4-(aminomethylidene)-5-imino-3,3-dimethyl-1-pentan-3-ylpyrrolidin-2-one (CID 136603565) is (4Z)-4-(aminomethylidene)-5-imino-3,3-dimethyl-1-pentan-3-ylpyrrolidin-2-one.
What is the SMILES notation for (4Z)-4-(aminomethylidene)-5-imino-3,3-dimethyl-1-pentan-3-ylpyrrolidin-2-one?
The canonical SMILES for (4Z)-4-(aminomethylidene)-5-imino-3,3-dimethyl-1-pentan-3-ylpyrrolidin-2-one is [H]/N=C1C(=C\N)/C(C)(C)C(=O)N/1C(CC)CC.
What is the InChIKey of (4Z)-4-(aminomethylidene)-5-imino-3,3-dimethyl-1-pentan-3-ylpyrrolidin-2-one?
The InChIKey is YKVFFQSFBJCVNW-HWHFYWTASA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-8(6-2)15-10(14)9(7-13)12(3,4)11(15)16/h7-8,14H,5-6,13H2,1-4H3/b9-7+,14-10-.
What are the key properties of (4Z)-4-(aminomethylidene)-5-imino-3,3-dimethyl-1-pentan-3-ylpyrrolidin-2-one?
(4Z)-4-(aminomethylidene)-5-imino-3,3-dimethyl-1-pentan-3-ylpyrrolidin-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(aminomethylidene)-5-imino-3,3-dimethyl-1-pentan-3-ylpyrrolidin-2-one is sourced from PubChem (CID 136603565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).