(2Z)-N-[(E)-4,4-dimethylpent-2-enyl]-2-(2,5-dioxoimidazolidin-4-ylidene)acetamide

C12H17N3O3 — CID 58619943

IUPAC(2Z)-N-[(E)-4,4-dimethylpent-2-enyl]-2-(2,5-dioxoimidazolidin-4-ylidene)acetamide
SMILESCC(C)(C)/C=C/CNC(=O)/C=C1\NC(=O)NC1=O
InChIInChI=1S/C12H17N3O3/c1-12(2,3)5-4-6-13-9(16)7-8-10(17)15-11(18)14-8/h4-5,7H,6H2,1-3H3,(H,13,16)(H2,14,15,17,18)/b5-4+,8-7-
InChIKeyRSWCVHQLEDNRDU-HTKRNXBHSA-N
MW251.29 g/mol
LogP0.43
Rot. Bonds3

About (2Z)-N-[(E)-4,4-dimethylpent-2-enyl]-2-(2,5-dioxoimidazolidin-4-ylidene)acetamide

(2Z)-N-[(E)-4,4-dimethylpent-2-enyl]-2-(2,5-dioxoimidazolidin-4-ylidene)acetamide (PubChem CID 58619943) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2Z)-N-[(E)-4,4-dimethylpent-2-enyl]-2-(2,5-dioxoimidazolidin-4-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-N-[(E)-4,4-dimethylpent-2-enyl]-2-(2,5-dioxoimidazolidin-4-ylidene)acetamide
PubChem CID58619943
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(2Z)-N-[(E)-4,4-dimethylpent-2-enyl]-2-(2,5-dioxoimidazolidin-4-ylidene)acetamide
SMILESCC(C)(C)/C=C/CNC(=O)/C=C1\NC(=O)NC1=O
InChIInChI=1S/C12H17N3O3/c1-12(2,3)5-4-6-13-9(16)7-8-10(17)15-11(18)14-8/h4-5,7H,6H2,1-3H3,(H,13,16)(H2,14,15,17,18)/b5-4+,8-7-
InChIKeyRSWCVHQLEDNRDU-HTKRNXBHSA-N
XLogP0.43
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[(E)-4,4-dimethylpent-2-enyl]-2-(2,5-dioxoimidazolidin-4-ylidene)acetamide?
The IUPAC name of (2Z)-N-[(E)-4,4-dimethylpent-2-enyl]-2-(2,5-dioxoimidazolidin-4-ylidene)acetamide (CID 58619943) is (2Z)-N-[(E)-4,4-dimethylpent-2-enyl]-2-(2,5-dioxoimidazolidin-4-ylidene)acetamide.
What is the SMILES notation for (2Z)-N-[(E)-4,4-dimethylpent-2-enyl]-2-(2,5-dioxoimidazolidin-4-ylidene)acetamide?
The canonical SMILES for (2Z)-N-[(E)-4,4-dimethylpent-2-enyl]-2-(2,5-dioxoimidazolidin-4-ylidene)acetamide is CC(C)(C)/C=C/CNC(=O)/C=C1\NC(=O)NC1=O.
What is the InChIKey of (2Z)-N-[(E)-4,4-dimethylpent-2-enyl]-2-(2,5-dioxoimidazolidin-4-ylidene)acetamide?
The InChIKey is RSWCVHQLEDNRDU-HTKRNXBHSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(2,3)5-4-6-13-9(16)7-8-10(17)15-11(18)14-8/h4-5,7H,6H2,1-3H3,(H,13,16)(H2,14,15,17,18)/b5-4+,8-7-.
What are the key properties of (2Z)-N-[(E)-4,4-dimethylpent-2-enyl]-2-(2,5-dioxoimidazolidin-4-ylidene)acetamide?
(2Z)-N-[(E)-4,4-dimethylpent-2-enyl]-2-(2,5-dioxoimidazolidin-4-ylidene)acetamide has a molecular weight of 251.29 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[(E)-4,4-dimethylpent-2-enyl]-2-(2,5-dioxoimidazolidin-4-ylidene)acetamide is sourced from PubChem (CID 58619943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).