1-[(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]pent-4-enoyl]pyrrolidin-2-one

C15H25NO2 — CID 11161068

IUPAC1-[(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]pent-4-enoyl]pyrrolidin-2-one
SMILESC=CC[C@H](C(=O)N1CCCC1=O)[C@H](C)C(C)(C)C
InChIInChI=1S/C15H25NO2/c1-6-8-12(11(2)15(3,4)5)14(18)16-10-7-9-13(16)17/h6,11-12H,1,7-10H2,2-5H3/t11-,12-/m0/s1
InChIKeySQIXVDADEJJAHT-RYUDHWBXSA-N
MW251.37 g/mol
LogP3.01
Rot. Bonds4

About 1-[(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]pent-4-enoyl]pyrrolidin-2-one

1-[(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]pent-4-enoyl]pyrrolidin-2-one (PubChem CID 11161068) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]pent-4-enoyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]pent-4-enoyl]pyrrolidin-2-one
PubChem CID11161068
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]pent-4-enoyl]pyrrolidin-2-one
SMILESC=CC[C@H](C(=O)N1CCCC1=O)[C@H](C)C(C)(C)C
InChIInChI=1S/C15H25NO2/c1-6-8-12(11(2)15(3,4)5)14(18)16-10-7-9-13(16)17/h6,11-12H,1,7-10H2,2-5H3/t11-,12-/m0/s1
InChIKeySQIXVDADEJJAHT-RYUDHWBXSA-N
XLogP3.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]pent-4-enoyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]pent-4-enoyl]pyrrolidin-2-one (CID 11161068) is 1-[(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]pent-4-enoyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]pent-4-enoyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]pent-4-enoyl]pyrrolidin-2-one is C=CC[C@H](C(=O)N1CCCC1=O)[C@H](C)C(C)(C)C.
What is the InChIKey of 1-[(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]pent-4-enoyl]pyrrolidin-2-one?
The InChIKey is SQIXVDADEJJAHT-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-8-12(11(2)15(3,4)5)14(18)16-10-7-9-13(16)17/h6,11-12H,1,7-10H2,2-5H3/t11-,12-/m0/s1.
What are the key properties of 1-[(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]pent-4-enoyl]pyrrolidin-2-one?
1-[(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]pent-4-enoyl]pyrrolidin-2-one has a molecular weight of 251.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]pent-4-enoyl]pyrrolidin-2-one is sourced from PubChem (CID 11161068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).