CID 174987087

C11H21N2OSi — CID 174987087

IUPAC—
SMILESC=CC(C)n1ccnc1.CCO[Si](C)C
InChIInChI=1S/C7H10N2.C4H11OSi/c1-3-7(2)9-5-4-8-6-9;1-4-5-6(2)3/h3-7H,1H2,2H3;4H2,1-3H3
InChIKeyFLGIPBRWYINQFT-UHFFFAOYSA-N
MW225.39 g/mol
LogP2.90
Rot. Bonds4

About CID 174987087

CID 174987087 (PubChem CID 174987087) has the molecular formula C11H21N2OSi and a molecular weight of 225.39 g/mol.

Molecular Properties

Compound NameCID 174987087
PubChem CID174987087
Molecular FormulaC11H21N2OSi
Molecular Weight225.39 g/mol
Exact Mass225.14
IUPAC Name—
SMILESC=CC(C)n1ccnc1.CCO[Si](C)C
InChIInChI=1S/C7H10N2.C4H11OSi/c1-3-7(2)9-5-4-8-6-9;1-4-5-6(2)3/h3-7H,1H2,2H3;4H2,1-3H3
InChIKeyFLGIPBRWYINQFT-UHFFFAOYSA-N
XLogP2.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 174620112
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CID 174521679
1-[(2S)-1-butoxypropan-2-yl]imidazole
CID 101426266
diethyl 2-imidazol-1-ylpropanedioate
CID 12742662
1-imidazol-1-ylbutane-1-thiol
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1-(1-chloroethyl)imidazole
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Frequently Asked Questions

What is the IUPAC name of CID 174987087?
The IUPAC name of CID 174987087 (CID 174987087) is not available.
What is the SMILES notation for CID 174987087?
The canonical SMILES for CID 174987087 is C=CC(C)n1ccnc1.CCO[Si](C)C.
What is the InChIKey of CID 174987087?
The InChIKey is FLGIPBRWYINQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C4H11OSi/c1-3-7(2)9-5-4-8-6-9;1-4-5-6(2)3/h3-7H,1H2,2H3;4H2,1-3H3.
What are the key properties of CID 174987087?
CID 174987087 has a molecular weight of 225.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174987087 is sourced from PubChem (CID 174987087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).