(3R,7S)-5,5-dimethyl-5-silatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarbonitrile

C14H18N2Si — CID 10490380

IUPAC(3R,7S)-5,5-dimethyl-5-silatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarbonitrile
SMILESC[Si]1(C)C[C@H]2CC3C[C@@H](C1)C2C(C#N)=C3C#N
InChIInChI=1S/C14H18N2Si/c1-17(2)7-10-3-9-4-11(8-17)14(10)13(6-16)12(9)5-15/h9-11,14H,3-4,7-8H2,1-2H3/t9?,10-,11+,14?
InChIKeyUMTXUJGCKBTXOT-ZNBHRWMRSA-N
MW242.40 g/mol
LogP3.32
Rot. Bonds

About (3R,7S)-5,5-dimethyl-5-silatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarbonitrile

(3R,7S)-5,5-dimethyl-5-silatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarbonitrile (PubChem CID 10490380) has the molecular formula C14H18N2Si and a molecular weight of 242.40 g/mol. Its IUPAC name is (3R,7S)-5,5-dimethyl-5-silatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarbonitrile.

Molecular Properties

Compound Name(3R,7S)-5,5-dimethyl-5-silatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarbonitrile
PubChem CID10490380
Molecular FormulaC14H18N2Si
Molecular Weight242.40 g/mol
Exact Mass242.12
IUPAC Name(3R,7S)-5,5-dimethyl-5-silatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarbonitrile
SMILESC[Si]1(C)C[C@H]2CC3C[C@@H](C1)C2C(C#N)=C3C#N
InChIInChI=1S/C14H18N2Si/c1-17(2)7-10-3-9-4-11(8-17)14(10)13(6-16)12(9)5-15/h9-11,14H,3-4,7-8H2,1-2H3/t9?,10-,11+,14?
InChIKeyUMTXUJGCKBTXOT-ZNBHRWMRSA-N
XLogP3.32
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,4R,5S,8R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-10,11-dicarbonitrile
CID 10822355
(1R,3R,6R,7S,8S)-2,2,6-trimethyltricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarbonitrile
CID 10538037
5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarbonitrile
CID 126498452
3-amino-5-cyclopropyl-1H-pyrazole-4-carbonitrile
CID 82417639
(7R)-5-amino-7-[(1S)-cyclohex-3-en-1-yl]-2-methyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
CID 7376146
(7R)-5-amino-7-[(1R)-cyclohex-3-en-1-yl]-2-methyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
CID 7376144
4,6-dichloro-2-cyclopropylpyrimidine-5-carbonitrile
CID 122200579
(1S,4R)-3-methylidenebicyclo[2.2.1]heptane-2-carbonitrile
CID 102015584
3-cyclopropyl-5-ethyl-1,2-thiazole-4-carbonitrile
CID 82409870
6-[(1R,8S,9S)-8-(3-methylbutyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]pyridine-2-carbonitrile
CID 164694801
5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile
CID 47280760
4-[2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-methyl-6-oxopyrimidin-1-yl]benzonitrile
CID 71045454

Frequently Asked Questions

What is the IUPAC name of (3R,7S)-5,5-dimethyl-5-silatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarbonitrile?
The IUPAC name of (3R,7S)-5,5-dimethyl-5-silatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarbonitrile (CID 10490380) is (3R,7S)-5,5-dimethyl-5-silatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarbonitrile.
What is the SMILES notation for (3R,7S)-5,5-dimethyl-5-silatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarbonitrile?
The canonical SMILES for (3R,7S)-5,5-dimethyl-5-silatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarbonitrile is C[Si]1(C)C[C@H]2CC3C[C@@H](C1)C2C(C#N)=C3C#N.
What is the InChIKey of (3R,7S)-5,5-dimethyl-5-silatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarbonitrile?
The InChIKey is UMTXUJGCKBTXOT-ZNBHRWMRSA-N. The full InChI is InChI=1S/C14H18N2Si/c1-17(2)7-10-3-9-4-11(8-17)14(10)13(6-16)12(9)5-15/h9-11,14H,3-4,7-8H2,1-2H3/t9?,10-,11+,14?.
What are the key properties of (3R,7S)-5,5-dimethyl-5-silatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarbonitrile?
(3R,7S)-5,5-dimethyl-5-silatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarbonitrile has a molecular weight of 242.40 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7S)-5,5-dimethyl-5-silatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarbonitrile is sourced from PubChem (CID 10490380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).