2-[(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-yl]ethynyl-tri(propan-2-yl)silane

C18H33NSi — CID 162412725

IUPAC2-[(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-yl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#C[C@H]1CC[C@H]2CCN[C@H]21)(C(C)C)C(C)C
InChIInChI=1S/C18H33NSi/c1-13(2)20(14(3)4,15(5)6)12-10-17-8-7-16-9-11-19-18(16)17/h13-19H,7-9,11H2,1-6H3/t16-,17+,18+/m0/s1
InChIKeyXVJVYZKVVWWPRQ-RCCFBDPRSA-N
MW291.56 g/mol
LogP4.60
Rot. Bonds3

About 2-[(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-yl]ethynyl-tri(propan-2-yl)silane

2-[(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-yl]ethynyl-tri(propan-2-yl)silane (PubChem CID 162412725) has the molecular formula C18H33NSi and a molecular weight of 291.56 g/mol. Its IUPAC name is 2-[(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-yl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-yl]ethynyl-tri(propan-2-yl)silane
PubChem CID162412725
Molecular FormulaC18H33NSi
Molecular Weight291.56 g/mol
Exact Mass291.24
IUPAC Name2-[(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-yl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#C[C@H]1CC[C@H]2CCN[C@H]21)(C(C)C)C(C)C
InChIInChI=1S/C18H33NSi/c1-13(2)20(14(3)4,15(5)6)12-10-17-8-7-16-9-11-19-18(16)17/h13-19H,7-9,11H2,1-6H3/t16-,17+,18+/m0/s1
InChIKeyXVJVYZKVVWWPRQ-RCCFBDPRSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.56
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-yl]ethynyl-tri(propan-2-yl)silane with MolForge

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Related Compounds

6-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
CID 83904798
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CID 124603442
4-piperidin-4-ylbut-1-ynyl-tri(propan-2-yl)silane
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6-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 83846103
6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 83905624
4-cyclopropyl-2-methylpiperidine
CID 82594092
1-but-3-yn-2-yl-3-cyclopropylpiperazine
CID 114420475
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-propan-2-ylsilane
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CID 66218764
2-cyclobutyl-3-fluoropyrrolidine
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(1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol
CID 11459757
6-methyl-2-azabicyclo[3.2.2]nonane
CID 163899527

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-yl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-yl]ethynyl-tri(propan-2-yl)silane (CID 162412725) is 2-[(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-yl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-yl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-yl]ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#C[C@H]1CC[C@H]2CCN[C@H]21)(C(C)C)C(C)C.
What is the InChIKey of 2-[(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-yl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is XVJVYZKVVWWPRQ-RCCFBDPRSA-N. The full InChI is InChI=1S/C18H33NSi/c1-13(2)20(14(3)4,15(5)6)12-10-17-8-7-16-9-11-19-18(16)17/h13-19H,7-9,11H2,1-6H3/t16-,17+,18+/m0/s1.
What are the key properties of 2-[(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-yl]ethynyl-tri(propan-2-yl)silane?
2-[(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-yl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 291.56 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-yl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 162412725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).