3-[(1R,3S)-3-(furan-3-yl)-4,4-dimethyl-1-trimethylsilyloxypentyl]-2-(pyrrolidine-1-carbonyl)cyclopent-2-en-1-one

C24H37NO4Si — CID 10410509

IUPAC3-[(1R,3S)-3-(furan-3-yl)-4,4-dimethyl-1-trimethylsilyloxypentyl]-2-(pyrrolidine-1-carbonyl)cyclopent-2-en-1-one
SMILESCC(C)(C)[C@H](C[C@@H](O[Si](C)(C)C)C1=C(C(=O)N2CCCC2)C(=O)CC1)c1ccoc1
InChIInChI=1S/C24H37NO4Si/c1-24(2,3)19(17-11-14-28-16-17)15-21(29-30(4,5)6)18-9-10-20(26)22(18)23(27)25-12-7-8-13-25/h11,14,16,19,21H,7-10,12-13,15H2,1-6H3/t19-,21-/m1/s1
InChIKeyLSENHHZVHWYGKO-TZIWHRDSSA-N
MW431.65 g/mol
LogP5.30
Rot. Bonds7

About 3-[(1R,3S)-3-(furan-3-yl)-4,4-dimethyl-1-trimethylsilyloxypentyl]-2-(pyrrolidine-1-carbonyl)cyclopent-2-en-1-one

3-[(1R,3S)-3-(furan-3-yl)-4,4-dimethyl-1-trimethylsilyloxypentyl]-2-(pyrrolidine-1-carbonyl)cyclopent-2-en-1-one (PubChem CID 10410509) has the molecular formula C24H37NO4Si and a molecular weight of 431.65 g/mol. Its IUPAC name is 3-[(1R,3S)-3-(furan-3-yl)-4,4-dimethyl-1-trimethylsilyloxypentyl]-2-(pyrrolidine-1-carbonyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(1R,3S)-3-(furan-3-yl)-4,4-dimethyl-1-trimethylsilyloxypentyl]-2-(pyrrolidine-1-carbonyl)cyclopent-2-en-1-one
PubChem CID10410509
Molecular FormulaC24H37NO4Si
Molecular Weight431.65 g/mol
Exact Mass431.25
IUPAC Name3-[(1R,3S)-3-(furan-3-yl)-4,4-dimethyl-1-trimethylsilyloxypentyl]-2-(pyrrolidine-1-carbonyl)cyclopent-2-en-1-one
SMILESCC(C)(C)[C@H](C[C@@H](O[Si](C)(C)C)C1=C(C(=O)N2CCCC2)C(=O)CC1)c1ccoc1
InChIInChI=1S/C24H37NO4Si/c1-24(2,3)19(17-11-14-28-16-17)15-21(29-30(4,5)6)18-9-10-20(26)22(18)23(27)25-12-7-8-13-25/h11,14,16,19,21H,7-10,12-13,15H2,1-6H3/t19-,21-/m1/s1
InChIKeyLSENHHZVHWYGKO-TZIWHRDSSA-N
XLogP5.30
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.65
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,3S)-3-(furan-3-yl)-4,4-dimethyl-1-trimethylsilyloxypentyl]-2-(pyrrolidine-1-carbonyl)cyclopent-2-en-1-one?
The IUPAC name of 3-[(1R,3S)-3-(furan-3-yl)-4,4-dimethyl-1-trimethylsilyloxypentyl]-2-(pyrrolidine-1-carbonyl)cyclopent-2-en-1-one (CID 10410509) is 3-[(1R,3S)-3-(furan-3-yl)-4,4-dimethyl-1-trimethylsilyloxypentyl]-2-(pyrrolidine-1-carbonyl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(1R,3S)-3-(furan-3-yl)-4,4-dimethyl-1-trimethylsilyloxypentyl]-2-(pyrrolidine-1-carbonyl)cyclopent-2-en-1-one?
The canonical SMILES for 3-[(1R,3S)-3-(furan-3-yl)-4,4-dimethyl-1-trimethylsilyloxypentyl]-2-(pyrrolidine-1-carbonyl)cyclopent-2-en-1-one is CC(C)(C)[C@H](C[C@@H](O[Si](C)(C)C)C1=C(C(=O)N2CCCC2)C(=O)CC1)c1ccoc1.
What is the InChIKey of 3-[(1R,3S)-3-(furan-3-yl)-4,4-dimethyl-1-trimethylsilyloxypentyl]-2-(pyrrolidine-1-carbonyl)cyclopent-2-en-1-one?
The InChIKey is LSENHHZVHWYGKO-TZIWHRDSSA-N. The full InChI is InChI=1S/C24H37NO4Si/c1-24(2,3)19(17-11-14-28-16-17)15-21(29-30(4,5)6)18-9-10-20(26)22(18)23(27)25-12-7-8-13-25/h11,14,16,19,21H,7-10,12-13,15H2,1-6H3/t19-,21-/m1/s1.
What are the key properties of 3-[(1R,3S)-3-(furan-3-yl)-4,4-dimethyl-1-trimethylsilyloxypentyl]-2-(pyrrolidine-1-carbonyl)cyclopent-2-en-1-one?
3-[(1R,3S)-3-(furan-3-yl)-4,4-dimethyl-1-trimethylsilyloxypentyl]-2-(pyrrolidine-1-carbonyl)cyclopent-2-en-1-one has a molecular weight of 431.65 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,3S)-3-(furan-3-yl)-4,4-dimethyl-1-trimethylsilyloxypentyl]-2-(pyrrolidine-1-carbonyl)cyclopent-2-en-1-one is sourced from PubChem (CID 10410509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).