(5Z)-4-tert-butyl-5-(3,3-dimethylbutylidene)pyrrol-2-one

C14H23NO — CID 139265380

IUPAC(5Z)-4-tert-butyl-5-(3,3-dimethylbutylidene)pyrrol-2-one
SMILESCC(C)(C)C/C=C1\NC(=O)C=C1C(C)(C)C
InChIInChI=1S/C14H23NO/c1-13(2,3)8-7-11-10(14(4,5)6)9-12(16)15-11/h7,9H,8H2,1-6H3,(H,15,16)/b11-7-
InChIKeyVLKXXYZKBLHHLG-XFFZJAGNSA-N
MW221.34 g/mol
LogP3.41
Rot. Bonds1

About (5Z)-4-tert-butyl-5-(3,3-dimethylbutylidene)pyrrol-2-one

(5Z)-4-tert-butyl-5-(3,3-dimethylbutylidene)pyrrol-2-one (PubChem CID 139265380) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (5Z)-4-tert-butyl-5-(3,3-dimethylbutylidene)pyrrol-2-one.

Molecular Properties

Compound Name(5Z)-4-tert-butyl-5-(3,3-dimethylbutylidene)pyrrol-2-one
PubChem CID139265380
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(5Z)-4-tert-butyl-5-(3,3-dimethylbutylidene)pyrrol-2-one
SMILESCC(C)(C)C/C=C1\NC(=O)C=C1C(C)(C)C
InChIInChI=1S/C14H23NO/c1-13(2,3)8-7-11-10(14(4,5)6)9-12(16)15-11/h7,9H,8H2,1-6H3,(H,15,16)/b11-7-
InChIKeyVLKXXYZKBLHHLG-XFFZJAGNSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-tert-butyl-5-(3,3-dimethylbutylidene)pyrrol-2-one?
The IUPAC name of (5Z)-4-tert-butyl-5-(3,3-dimethylbutylidene)pyrrol-2-one (CID 139265380) is (5Z)-4-tert-butyl-5-(3,3-dimethylbutylidene)pyrrol-2-one.
What is the SMILES notation for (5Z)-4-tert-butyl-5-(3,3-dimethylbutylidene)pyrrol-2-one?
The canonical SMILES for (5Z)-4-tert-butyl-5-(3,3-dimethylbutylidene)pyrrol-2-one is CC(C)(C)C/C=C1\NC(=O)C=C1C(C)(C)C.
What is the InChIKey of (5Z)-4-tert-butyl-5-(3,3-dimethylbutylidene)pyrrol-2-one?
The InChIKey is VLKXXYZKBLHHLG-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H23NO/c1-13(2,3)8-7-11-10(14(4,5)6)9-12(16)15-11/h7,9H,8H2,1-6H3,(H,15,16)/b11-7-.
What are the key properties of (5Z)-4-tert-butyl-5-(3,3-dimethylbutylidene)pyrrol-2-one?
(5Z)-4-tert-butyl-5-(3,3-dimethylbutylidene)pyrrol-2-one has a molecular weight of 221.34 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-tert-butyl-5-(3,3-dimethylbutylidene)pyrrol-2-one is sourced from PubChem (CID 139265380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).