(4Z)-4-(4,4-dimethylpent-1-en-3-ylidene)-3-methylidenepyrrolidin-2-one

C12H17NO — CID 170574862

IUPAC(4Z)-4-(4,4-dimethylpent-1-en-3-ylidene)-3-methylidenepyrrolidin-2-one
SMILESC=C/C(=C1/CNC(=O)C1=C)C(C)(C)C
InChIInChI=1S/C12H17NO/c1-6-10(12(3,4)5)9-7-13-11(14)8(9)2/h6H,1-2,7H2,3-5H3,(H,13,14)/b10-9+
InChIKeyIUZKYWZADQZXAX-MDZDMXLPSA-N
MW191.27 g/mol
LogP2.20
Rot. Bonds1

About (4Z)-4-(4,4-dimethylpent-1-en-3-ylidene)-3-methylidenepyrrolidin-2-one

(4Z)-4-(4,4-dimethylpent-1-en-3-ylidene)-3-methylidenepyrrolidin-2-one (PubChem CID 170574862) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (4Z)-4-(4,4-dimethylpent-1-en-3-ylidene)-3-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(4Z)-4-(4,4-dimethylpent-1-en-3-ylidene)-3-methylidenepyrrolidin-2-one
PubChem CID170574862
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(4Z)-4-(4,4-dimethylpent-1-en-3-ylidene)-3-methylidenepyrrolidin-2-one
SMILESC=C/C(=C1/CNC(=O)C1=C)C(C)(C)C
InChIInChI=1S/C12H17NO/c1-6-10(12(3,4)5)9-7-13-11(14)8(9)2/h6H,1-2,7H2,3-5H3,(H,13,14)/b10-9+
InChIKeyIUZKYWZADQZXAX-MDZDMXLPSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.20
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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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(4,4-dimethylpent-1-en-3-ylidene)-3-methylidenepyrrolidin-2-one?
The IUPAC name of (4Z)-4-(4,4-dimethylpent-1-en-3-ylidene)-3-methylidenepyrrolidin-2-one (CID 170574862) is (4Z)-4-(4,4-dimethylpent-1-en-3-ylidene)-3-methylidenepyrrolidin-2-one.
What is the SMILES notation for (4Z)-4-(4,4-dimethylpent-1-en-3-ylidene)-3-methylidenepyrrolidin-2-one?
The canonical SMILES for (4Z)-4-(4,4-dimethylpent-1-en-3-ylidene)-3-methylidenepyrrolidin-2-one is C=C/C(=C1/CNC(=O)C1=C)C(C)(C)C.
What is the InChIKey of (4Z)-4-(4,4-dimethylpent-1-en-3-ylidene)-3-methylidenepyrrolidin-2-one?
The InChIKey is IUZKYWZADQZXAX-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H17NO/c1-6-10(12(3,4)5)9-7-13-11(14)8(9)2/h6H,1-2,7H2,3-5H3,(H,13,14)/b10-9+.
What are the key properties of (4Z)-4-(4,4-dimethylpent-1-en-3-ylidene)-3-methylidenepyrrolidin-2-one?
(4Z)-4-(4,4-dimethylpent-1-en-3-ylidene)-3-methylidenepyrrolidin-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(4,4-dimethylpent-1-en-3-ylidene)-3-methylidenepyrrolidin-2-one is sourced from PubChem (CID 170574862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).