CID 162381324

C15H18N5O3Si — CID 162381324

IUPAC—
SMILESC#Cc1nn([C@@]2([Si])C[C@H](COC)N(C(=O)C=C)C2)c(N)c1C(N)=O
InChIInChI=1S/C15H18N5O3Si/c1-4-10-12(14(17)22)13(16)20(18-10)15(24)6-9(7-23-3)19(8-15)11(21)5-2/h1,5,9H,2,6-8,16H2,3H3,(H2,17,22)/t9-,15-/m1/s1
InChIKeyDEVAPCPWILIWKF-RFAUZJTJSA-N
MW344.43 g/mol
LogP-1.20
Rot. Bonds5

About CID 162381324

CID 162381324 (PubChem CID 162381324) has the molecular formula C15H18N5O3Si and a molecular weight of 344.43 g/mol.

Molecular Properties

Compound NameCID 162381324
PubChem CID162381324
Molecular FormulaC15H18N5O3Si
Molecular Weight344.43 g/mol
Exact Mass344.12
IUPAC Name—
SMILESC#Cc1nn([C@@]2([Si])C[C@H](COC)N(C(=O)C=C)C2)c(N)c1C(N)=O
InChIInChI=1S/C15H18N5O3Si/c1-4-10-12(14(17)22)13(16)20(18-10)15(24)6-9(7-23-3)19(8-15)11(21)5-2/h1,5,9H,2,6-8,16H2,3H3,(H2,17,22)/t9-,15-/m1/s1
InChIKeyDEVAPCPWILIWKF-RFAUZJTJSA-N
XLogP-1.20
TPSA116.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 162381324?
The IUPAC name of CID 162381324 (CID 162381324) is not available.
What is the SMILES notation for CID 162381324?
The canonical SMILES for CID 162381324 is C#Cc1nn([C@@]2([Si])C[C@H](COC)N(C(=O)C=C)C2)c(N)c1C(N)=O.
What is the InChIKey of CID 162381324?
The InChIKey is DEVAPCPWILIWKF-RFAUZJTJSA-N. The full InChI is InChI=1S/C15H18N5O3Si/c1-4-10-12(14(17)22)13(16)20(18-10)15(24)6-9(7-23-3)19(8-15)11(21)5-2/h1,5,9H,2,6-8,16H2,3H3,(H2,17,22)/t9-,15-/m1/s1.
What are the key properties of CID 162381324?
CID 162381324 has a molecular weight of 344.43 g/mol, XLogP of -1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162381324 is sourced from PubChem (CID 162381324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).