[(Z)-5-(2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indol-1-yl)pent-2-en-3-yl]-trimethylsilane

C19H30N2Si — CID 5386775

IUPAC[(Z)-5-(2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indol-1-yl)pent-2-en-3-yl]-trimethylsilane
SMILESC/C=C(/CCC1NCCC2c3ccccc3NC12)[Si](C)(C)C
InChIInChI=1S/C19H30N2Si/c1-5-14(22(2,3)4)10-11-18-19-16(12-13-20-18)15-8-6-7-9-17(15)21-19/h5-9,16,18-21H,10-13H2,1-4H3/b14-5-
InChIKeyNSHWEQKTJYYKNJ-RZNTYIFUSA-N
MW314.55 g/mol
LogP4.53
Rot. Bonds4

About [(Z)-5-(2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indol-1-yl)pent-2-en-3-yl]-trimethylsilane

[(Z)-5-(2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indol-1-yl)pent-2-en-3-yl]-trimethylsilane (PubChem CID 5386775) has the molecular formula C19H30N2Si and a molecular weight of 314.55 g/mol. Its IUPAC name is [(Z)-5-(2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indol-1-yl)pent-2-en-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-5-(2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indol-1-yl)pent-2-en-3-yl]-trimethylsilane
PubChem CID5386775
Molecular FormulaC19H30N2Si
Molecular Weight314.55 g/mol
Exact Mass314.22
IUPAC Name[(Z)-5-(2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indol-1-yl)pent-2-en-3-yl]-trimethylsilane
SMILESC/C=C(/CCC1NCCC2c3ccccc3NC12)[Si](C)(C)C
InChIInChI=1S/C19H30N2Si/c1-5-14(22(2,3)4)10-11-18-19-16(12-13-20-18)15-8-6-7-9-17(15)21-19/h5-9,16,18-21H,10-13H2,1-4H3/b14-5-
InChIKeyNSHWEQKTJYYKNJ-RZNTYIFUSA-N
XLogP4.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.55
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [(Z)-5-(2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indol-1-yl)pent-2-en-3-yl]-trimethylsilane?
The IUPAC name of [(Z)-5-(2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indol-1-yl)pent-2-en-3-yl]-trimethylsilane (CID 5386775) is [(Z)-5-(2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indol-1-yl)pent-2-en-3-yl]-trimethylsilane.
What is the SMILES notation for [(Z)-5-(2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indol-1-yl)pent-2-en-3-yl]-trimethylsilane?
The canonical SMILES for [(Z)-5-(2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indol-1-yl)pent-2-en-3-yl]-trimethylsilane is C/C=C(/CCC1NCCC2c3ccccc3NC12)[Si](C)(C)C.
What is the InChIKey of [(Z)-5-(2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indol-1-yl)pent-2-en-3-yl]-trimethylsilane?
The InChIKey is NSHWEQKTJYYKNJ-RZNTYIFUSA-N. The full InChI is InChI=1S/C19H30N2Si/c1-5-14(22(2,3)4)10-11-18-19-16(12-13-20-18)15-8-6-7-9-17(15)21-19/h5-9,16,18-21H,10-13H2,1-4H3/b14-5-.
What are the key properties of [(Z)-5-(2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indol-1-yl)pent-2-en-3-yl]-trimethylsilane?
[(Z)-5-(2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indol-1-yl)pent-2-en-3-yl]-trimethylsilane has a molecular weight of 314.55 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-(2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indol-1-yl)pent-2-en-3-yl]-trimethylsilane is sourced from PubChem (CID 5386775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).