N,N-diethyl-2-oxo-1-[(E)-4-trimethylsilylbut-2-enyl]cyclopentane-1-carboxamide

C17H31NO2Si — CID 101439007

IUPACN,N-diethyl-2-oxo-1-[(E)-4-trimethylsilylbut-2-enyl]cyclopentane-1-carboxamide
SMILESCCN(CC)C(=O)C1(C/C=C/C[Si](C)(C)C)CCCC1=O
InChIInChI=1S/C17H31NO2Si/c1-6-18(7-2)16(20)17(13-10-11-15(17)19)12-8-9-14-21(3,4)5/h8-9H,6-7,10-14H2,1-5H3/b9-8+
InChIKeyOSIHORGQLMHPDW-CMDGGOBGSA-N
MW309.53 g/mol
LogP3.88
Rot. Bonds7

About N,N-diethyl-2-oxo-1-[(E)-4-trimethylsilylbut-2-enyl]cyclopentane-1-carboxamide

N,N-diethyl-2-oxo-1-[(E)-4-trimethylsilylbut-2-enyl]cyclopentane-1-carboxamide (PubChem CID 101439007) has the molecular formula C17H31NO2Si and a molecular weight of 309.53 g/mol. Its IUPAC name is N,N-diethyl-2-oxo-1-[(E)-4-trimethylsilylbut-2-enyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-oxo-1-[(E)-4-trimethylsilylbut-2-enyl]cyclopentane-1-carboxamide
PubChem CID101439007
Molecular FormulaC17H31NO2Si
Molecular Weight309.53 g/mol
Exact Mass309.21
IUPAC NameN,N-diethyl-2-oxo-1-[(E)-4-trimethylsilylbut-2-enyl]cyclopentane-1-carboxamide
SMILESCCN(CC)C(=O)C1(C/C=C/C[Si](C)(C)C)CCCC1=O
InChIInChI=1S/C17H31NO2Si/c1-6-18(7-2)16(20)17(13-10-11-15(17)19)12-8-9-14-21(3,4)5/h8-9H,6-7,10-14H2,1-5H3/b9-8+
InChIKeyOSIHORGQLMHPDW-CMDGGOBGSA-N
XLogP3.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.53
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide
CID 101439008
N,N-diethyl-2-oxo-1-(4-trimethylsilylbut-2-enyl)cyclopentane-1-carboxamide
CID 134975161
(E)-2,2-dimethyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione
CID 10611743

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-oxo-1-[(E)-4-trimethylsilylbut-2-enyl]cyclopentane-1-carboxamide?
The IUPAC name of N,N-diethyl-2-oxo-1-[(E)-4-trimethylsilylbut-2-enyl]cyclopentane-1-carboxamide (CID 101439007) is N,N-diethyl-2-oxo-1-[(E)-4-trimethylsilylbut-2-enyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N,N-diethyl-2-oxo-1-[(E)-4-trimethylsilylbut-2-enyl]cyclopentane-1-carboxamide?
The canonical SMILES for N,N-diethyl-2-oxo-1-[(E)-4-trimethylsilylbut-2-enyl]cyclopentane-1-carboxamide is CCN(CC)C(=O)C1(C/C=C/C[Si](C)(C)C)CCCC1=O.
What is the InChIKey of N,N-diethyl-2-oxo-1-[(E)-4-trimethylsilylbut-2-enyl]cyclopentane-1-carboxamide?
The InChIKey is OSIHORGQLMHPDW-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H31NO2Si/c1-6-18(7-2)16(20)17(13-10-11-15(17)19)12-8-9-14-21(3,4)5/h8-9H,6-7,10-14H2,1-5H3/b9-8+.
What are the key properties of N,N-diethyl-2-oxo-1-[(E)-4-trimethylsilylbut-2-enyl]cyclopentane-1-carboxamide?
N,N-diethyl-2-oxo-1-[(E)-4-trimethylsilylbut-2-enyl]cyclopentane-1-carboxamide has a molecular weight of 309.53 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-oxo-1-[(E)-4-trimethylsilylbut-2-enyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 101439007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).