(7E,8S)-7-(trimethylsilylmethylidene)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one

C11H19NOSi — CID 12842579

IUPAC(7E,8S)-7-(trimethylsilylmethylidene)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC[Si](C)(C)/C=C1\CCN2C(=O)CC[C@@H]12
InChIInChI=1S/C11H19NOSi/c1-14(2,3)8-9-6-7-12-10(9)4-5-11(12)13/h8,10H,4-7H2,1-3H3/b9-8+/t10-/m0/s1
InChIKeyIZFXBRKMQCAHPB-DDXVTDLHSA-N
MW209.36 g/mol
LogP2.18
Rot. Bonds1

About (7E,8S)-7-(trimethylsilylmethylidene)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one

(7E,8S)-7-(trimethylsilylmethylidene)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 12842579) has the molecular formula C11H19NOSi and a molecular weight of 209.36 g/mol. Its IUPAC name is (7E,8S)-7-(trimethylsilylmethylidene)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(7E,8S)-7-(trimethylsilylmethylidene)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
PubChem CID12842579
Molecular FormulaC11H19NOSi
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(7E,8S)-7-(trimethylsilylmethylidene)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC[Si](C)(C)/C=C1\CCN2C(=O)CC[C@@H]12
InChIInChI=1S/C11H19NOSi/c1-14(2,3)8-9-6-7-12-10(9)4-5-11(12)13/h8,10H,4-7H2,1-3H3/b9-8+/t10-/m0/s1
InChIKeyIZFXBRKMQCAHPB-DDXVTDLHSA-N
XLogP2.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7E,8S)-7-(trimethylsilylmethylidene)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (7E,8S)-7-(trimethylsilylmethylidene)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one (CID 12842579) is (7E,8S)-7-(trimethylsilylmethylidene)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (7E,8S)-7-(trimethylsilylmethylidene)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (7E,8S)-7-(trimethylsilylmethylidene)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one is C[Si](C)(C)/C=C1\CCN2C(=O)CC[C@@H]12.
What is the InChIKey of (7E,8S)-7-(trimethylsilylmethylidene)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is IZFXBRKMQCAHPB-DDXVTDLHSA-N. The full InChI is InChI=1S/C11H19NOSi/c1-14(2,3)8-9-6-7-12-10(9)4-5-11(12)13/h8,10H,4-7H2,1-3H3/b9-8+/t10-/m0/s1.
What are the key properties of (7E,8S)-7-(trimethylsilylmethylidene)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
(7E,8S)-7-(trimethylsilylmethylidene)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 209.36 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,8S)-7-(trimethylsilylmethylidene)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 12842579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).